77-37-2 靶点实验数据

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-1

External ID: CHEMBL5291801

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL343
ChEMBL Target Name: GABA receptor alpha-1 subunit
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0041	AC50	=	4.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0106	AC50	=	10.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-1

External ID: CHEMBL5291798

Protocol: N/A

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Estrogen receptor

External ID: CHEMBL5291791

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL206
ChEMBL Target Name: Estrogen receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
1.0E-4	AC50	=	0.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL646647

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

Standard Type	Standard Relation	Standard Value
LogD	=	-0.34
LogD	=	1.8
LogD	=	0.4
LogD	=	2.49
LogD	=	1.47
LogD	=	-2.66
LogD	=	-2.04
LogD	=	-1.24
LogD	=	-0.02
LogD	=	-0.08
LogD	=	0.35
LogD	=	-0.19
LogD	=	-0.02
LogD	=	-0.39
LogD	=	0.11
LogD	=	2.05
LogD	=	1.48
LogD	=	1.47
LogD	=	1.92
LogD	=	-1.34

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：D(2) dopamine receptor

External ID: CHEMBL5291781

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL217
ChEMBL Target Name: Dopamine D2 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
3.2	AC50	=	3200	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
1.3	AC50	=	1300	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.98	AC50	=	980	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.39	AC50	=	390	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：D(1A) dopamine receptor

External ID: CHEMBL5291777

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL2056
ChEMBL Target Name: Dopamine D1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Cannabinoid receptor 1

External ID: CHEMBL5291773

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL218
ChEMBL Target Name: Cannabinoid CB1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.1739	AC50	=	173.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL636394

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

Standard Type	Standard Relation	Standard Value
delta logD	=	-0.82
delta logD	=	-0.9
delta logD	=	-0.89
delta logD	=	-0.89
delta logD	=	-0.75
delta logD	=	-0.9
delta logD	=	-0.89
delta logD	=	0.9
delta logD	=	-0.9
delta logD	=	-0.38
delta logD	=	-0.9
delta logD	=	0.42
delta logD	=	0.9
delta logD	=	0.65
delta logD	=	0.83
delta logD	=	0.13
delta logD	=	0.04
delta logD	=	0.89
delta logD	=	0.9
delta logD	=	0.87

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Melanocortin receptor 4

External ID: CHEMBL5291832

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL259
ChEMBL Target Name: Melanocortin receptor 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
21.3998	AC50	=	21399.8	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
33.3803	AC50	=	33380.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Melanocortin receptor 3

External ID: CHEMBL5291831

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL4644
ChEMBL Target Name: Melanocortin receptor 3
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
18.8001	AC50	=	18800.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
27.4101	AC50	=	27410.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Neuropeptide Y receptor type 1

External ID: CHEMBL5291834

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL4777
ChEMBL Target Name: Neuropeptide Y receptor type 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Motilin receptor

External ID: CHEMBL5291833

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL2203
ChEMBL Target Name: Motilin receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
9.4393	AC50	=	9439.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Voltage-gated inwardly rectifying potassium channel KCNH2

External ID: CHEMBL5291828

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL240
ChEMBL Target Name: HERG
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
350.002	AC50	=	350001.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")	Outside typical range
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.06	AC50	=	4060	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
9.1	AC50	=	9100	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：Burnham Center for Chemical Genomics 靶标：N/A

External ID: SBCCG-A1016-RevErbaLBD-Primary-Assay

Protocol: This assay is to identify modulators of Rev-erb alpha protein binding to DNA

A. Materials:
REV-alpha_beta purified protein = Rastinejad lab
FITC-DNA = Rastinejad lab
Tris = Biorad (cat #161-0719)
DTT = Akron Biotechnology (cat #AK2948-0005)
5M NaCl = Sigma-Aldrich (cat #56546-1L)
Glycerol 99.5% = Acros (cat #327255000)
Tween 20 = Sigma-Aldrich (cat #P1379)
Corning high base black plates = Corning (cat #3724)
Molecular grade water = Cellgro (cat #46-000-CM)

B. Plate Map:
Negative (low) control in columns 1 and 2 is 6nM DNA and 35nM Protein, DMSO
Positive (high) control in columns 3 and 4, Protein at 750nM and 6nM DNA, DMSO
Test compound in columns 5 - 48, Protein at 35nM + 6nM DNA + test compound

C. Procedures:
Step#Description
1#Prepare 2X Rev-erb alpha protein stock and 2X DNA stock
2#Using LabCyte Echo, transfer xnL from a 2 mM Echo qualified plate containing test compounds into assay plate Col. 5 - 48. Add same volume of DMSO in col 1-4.
3#Spin plates at 1000 rpm for 1 minute in centrifuge.
4#Using the bioraptr, add 3 uL/well of (35nM protein control) to columns 1 and 2 and test compound wells.
5#Using the bioraptr, add 3 uL/well of Mix 2 (750nM protein) to col. 3-4 for the positive control
6#Using the bioraptr, add 3uL/well of Mix 3 (DNA) to col. 1-48.
7#Spin plates at 1000 rpm for 1 minute in centrifuge.
8#Incubate plates in the dark at room temperature for 90 minutes.
9#Set up Perkin Elmer EnVision as described in section Instrument setting.
10#Read plates on EnVision using FP Dual enhanced mirror, FP 480 excitation filter, FP-P-pol 535 and FP-S-pol 535 emissin filters

Comment: Actives were selected based on, % response = 45% or greater

BatchID	%Activity_Corrected at 10 uM	Value at 10 uM	FRatio	Mean High	STD Deviation High	Mean Low	STD Deviation Low
MLS-0047618.P030	-3.49	3.6821	1.04	4.17	0.55	9.39	0.94
MLS-0047644.P030	5.01	4.1164	0.92	4.17	0.55	9.39	0.94
MLS-0047572.P030	-2.83	3.6969	1.04	4.17	0.55	9.39	0.94
MLS-0051226.P030	0.81	3.9451	0.97	4.17	0.55	9.39	0.94
MLS-0018734.P030	-4.41	3.6865	1.04	4.17	0.55	9.39	0.94
MLS-0099666.P028	1.27	3.9809	0.98	4.17	0.55	9.39	0.94
MLS-0021904.P031	-3.01	3.7812	1.01	4.17	0.55	9.39	0.94
MLS-0003494.P030	6.80	4.2136	0.88	4.17	0.55	9.39	0.94
MLS-0041706.P030	4.32	4.1571	0.93	4.17	0.55	9.39	0.94
MLS-0051069.P030	-3.40	3.7722	0.98	4.17	0.55	9.39	0.94
MLS-0008767.P030	-4.32	3.6982	1.10	4.17	0.55	9.39	0.94
MLS-0004317.P030	-5.10	3.6501	1.05	4.17	0.55	9.39	0.94
MLS-0024446.P030	1.54	3.976	1.00	4.17	0.55	9.39	0.94
MLS-0043221.P030	3.45	4.1364	0.94	4.17	0.55	9.39	0.94
MLS-0093353.P028	2.20	4.0861	0.93	4.17	0.55	9.39	0.94
MLS-0039240.P030	-3.25	3.8052	0.98	4.17	0.55	9.39	0.94
MLS-0009783.P025	0.25	3.893	0.94	4.17	0.55	9.39	0.94
MLS-0027652.P031	1.20	3.9291	0.96	4.17	0.55	9.39	0.94
MLS-0034571.P030	-0.40	3.8585	0.96	4.17	0.55	9.39	0.94
MLS-0001714.P030	3.94	4.0825	0.92	4.17	0.55	9.39	0.94

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 3A

External ID: CHEMBL5291824

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL1899
ChEMBL Target Name: Serotonin 3a (5-HT3a) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.1	AC50	=	2100	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 2C

External ID: CHEMBL5291823

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL225
ChEMBL Target Name: Serotonin 2c (5-HT2c) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
6.8	AC50	=	6800	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
5.4	AC50	=	5400	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 2B

External ID: CHEMBL5291819

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL1833
ChEMBL Target Name: Serotonin 2b (5-HT2b) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：15621 靶标：G protein-activated inward rectifier potassium channel 2

External ID: VANDERBILT_HTS_GIRK2_MPD

Protocol: To screen for modulators of the G protein-gated inwardly-rectifying potassium channel subunit 2 (GIRK2) homomeric channels, HEK293 cells were engineered to overexpress GIRK2. These cells were screened using a high-throughput thallium-flux assay in a 384-well format. High-throughput thallium flux assays are based on three principles: (1) extracellular thallium can permeate through potassium channels into cells, (2) the fluorescent dye Thallos enters and stays in the cytoplasm of HEK293 cells, and (3) the fluorescence of Thallos increases dramatically when it interacts with thallium ions. Compounds that modulate the activity of an overexpressed channel, in this case GIRK2, are identified by the change in fluorescence that results from changes in thallium influx into cells through the overexpressed channel.

The screening protocol was conducted as follows. One hour prior to screening, cells were loaded with 1.5 micromolar (muM) Thallos in assay buffer (1x Hank's Balanced Salt Solution and 20 millimolar (mM) HEPES). The liquid handling and imaging was conducted using a kinetic-imaging plate reader, Panoptic (WaveFront Biosciences). Before screening, Thallos-containing buffer was removed from cells and replaced with 20 microliters (muL) per well of assay buffer. Compounds were dissolved in assay buffer at 20 muM. After 8 seconds of imaging, 20 muL of compound solution was added per well and allowed to incubate for 150 seconds. Next, 10 muL of a solution containing 2.0 mM thallium in Base Buffer (125 mM NaHCO3, 1 mM MgSO4, 1.8 mM CaSO4, 5mM Glucose, and 20 mM HEPES) was added to the wells. 30 seconds later, 12 muL of base buffer containing 2.0 mM thallium and 50 mM 2-methyl-2,4-pentanediol (MPD), a partially-activating concentration, was added to each well. MPD has is a previously-described GIRK2 channel activator. Data was collected for 60 seconds after this final addition. The positive control for this screen was 30 muM ivermectin, a natural product previously identified as a GIRK2 activator as part of a small-scale pilot screen. Microsoft Excel was utilized for data analysis. Data were normalized, F/Fo, on a well-to-well basis to account for differences in cell number. Compound activity was analyzed by comparing the sums of control-subtracted amplitudes of fluorescence intensity at 20 seconds after each thallium addition. The top 0.2% compounds corresponding to wells that demonstrated the largest increases in fluorescence were selected as "hits" for counter screening, as described below.

All 63,228 compounds screened using the method described above are listed in column OUTCOME_SCREEN_HITS. The 133 compounds selected as hits based on the above criteria are labelled with "100" in the ACTIVITY column. Fluorescent compounds were included in the inactive compounds and marked with "0" in the ACTIVITY column.

The 133 active compounds from column OUTCOME_SCREEN_HITS were tested for non-specific activity in untransfected HEK293 cells using assay conditions otherwise identical to the primary screen. Column OUTCOME_HEK_COUNTERSCREEN lists the 23 compounds that displayed an increase in fluorescence upon thallium addition with "100" in the ACTIVITY column.

The 110 compounds which were identified as hits in the primary screen but inactive when tested in untransfected HEK293 cells were tested for activity in GIRK2-overexpressing HEK293 cells that did not express NPY4 receptor. Column OUTCOME_GIRK2_COUNTERSCREEN lists the 44 compound that displayed an increase in fluorescence upon thallium addition with "100" in the ACTIVITY column.

The 44 active compounds from column OUTCOME_GIRK2_COUNTERSCREEN were tested at various concentrations to determine if compound activity was concentration dependent. Column OUTCOME_GIRK2_DOSE_RESPONSE provides the efficacy of these compounds; activity of all compounds at the provided concentrations was normalized to the activity of VU0537695 at 25 muM, which was the highest efficacy observed during this screening. For each compound concentration listed, the efficacy of that compound provided refers to the normalized, control-subtracted fluorescence intensity at 15 seconds after the addition of thallium. The 28 compounds that demonstrated >5% efficacy and concentration-dependent activity were labelled as "100" in the ACTIVITY column.

Finally, column PUBCHEM_ACTIVITY_OUTCOME combines all of the information from the above counterscreens together, indicating the 28 hits from this GIRK2 screen.

Comment:

OUTCOME_SCREEN_HITS	OUTCOME_HEK_COUNTERSCREEN	OUTCOME_GIRK2_COUNTERSCREEN	OUTCOME_GIRK2_DOSE_RESPONSE	% Efficacy @ 25uM	% Efficacy @ 8.3uM	% Efficacy @ 2.8uM	% Efficacy @ 0.94uM	% Efficacy @ 0.15uM	% Efficacy @ 0.024uM
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 2B

External ID: CHEMBL5291821

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL1833
ChEMBL Target Name: Serotonin 2b (5-HT2b) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.03	AC50	=	30	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
5	AC50	=	5000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2	AC50	=	2000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
16	AC50	=	16000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
23.0651	AC50	=	23065.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
23.0001	AC50	=	23000.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
20	AC50	=	20000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
5.6	AC50	=	5600	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 2A

External ID: CHEMBL5291816

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL224
ChEMBL Target Name: Serotonin 2a (5-HT2a) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 2A

External ID: CHEMBL5291817

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL224
ChEMBL Target Name: Serotonin 2a (5-HT2a) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.07	AC50	=	70	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	=	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.8	AC50	=	2800	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
17.9999	AC50	=	17999.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.9	AC50	=	900	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 1A

External ID: CHEMBL5291814

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL214
ChEMBL Target Name: Serotonin 1a (5-HT1a) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
6.9	AC50	=	6900	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.8	AC50	=	4800	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 1A

External ID: CHEMBL5291813

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL214
ChEMBL Target Name: Serotonin 1a (5-HT1a) receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.4	AC50	=	4400	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1614670

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

Standard Type	Standard Relation	Standard Value	Standard Units
Vdss	=	0.73	L.kg-1
Vdss	=	2.6	L.kg-1
Vdss	=	1.6	L.kg-1
Vdss	=	0.096	L.kg-1
Vdss	=	0.32	L.kg-1
Vdss	=	1.6	L.kg-1
Vdss	=	2.1	L.kg-1
Vdss	=	6.1	L.kg-1
Vdss	=	1.9	L.kg-1
Vdss	=	12	L.kg-1
Vdss	=	0.8	L.kg-1
Vdss	=	1	L.kg-1
Vdss	=	3.1	L.kg-1
Vdss	=	3.2	L.kg-1
Vdss	=	1.2	L.kg-1
Vdss	=	13	L.kg-1
Vdss	=	45	L.kg-1
Vdss	=	0.37	L.kg-1
Vdss	=	1.5	L.kg-1
Vdss	=	4.1	L.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Histamine H2 receptor

External ID: CHEMBL5291810

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL1941
ChEMBL Target Name: Histamine H2 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1614671

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	4.7	mL.min-1.kg-1
CL	=	18	mL.min-1.kg-1
CL	=	2.5	mL.min-1.kg-1
CL	=	1.3	mL.min-1.kg-1
CL	=	5.1	mL.min-1.kg-1
CL	=	2.4	mL.min-1.kg-1
CL	=	8.3	mL.min-1.kg-1
CL	=	9.7	mL.min-1.kg-1
CL	=	31	mL.min-1.kg-1
CL	=	13	mL.min-1.kg-1
CL	=	16	mL.min-1.kg-1
CL	=	0.38	mL.min-1.kg-1
CL	=	13	mL.min-1.kg-1
CL	=	15	mL.min-1.kg-1
CL	=	0.7	mL.min-1.kg-1
CL	=	8.2	mL.min-1.kg-1
CL	=	20	mL.min-1.kg-1
CL	=	0.65	mL.min-1.kg-1
CL	=	2.1	mL.min-1.kg-1
CL	=	13	mL.min-1.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Histamine H1 receptor

External ID: CHEMBL5291809

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL231
ChEMBL Target Name: Histamine H1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
15	AC50	=	15000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
1	AC50	>	1000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1614673

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

Standard Type	Standard Relation	Standard Value	Standard Units
MRT	=	2.6	hr
MRT	=	2.4	hr
MRT	=	11	hr
MRT	=	1.2	hr
MRT	=	1	hr
MRT	=	11	hr
MRT	=	4.2	hr
MRT	=	10	hr
MRT	=	1	hr
MRT	=	15	hr
MRT	=	1	hr
MRT	=	44	hr
MRT	=	4	hr
MRT	=	3.6	hr
MRT	=	27	hr
MRT	=	26	hr
MRT	=	38	hr
MRT	=	9.5	hr
MRT	=	12	hr
MRT	=	5.3	hr

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Growth hormone secretagogue receptor type 1

External ID: CHEMBL5291803

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL4616
ChEMBL Target Name: Ghrelin receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.2	AC50	=	2200	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
22.1998	AC50	=	22199.8	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
18.9998	AC50	=	18999.8	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1614674

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

Standard Type	Standard Relation	Standard Value	Standard Units
T1/2	=	2	hr
T1/2	=	2	hr
T1/2	=	8.9	hr
T1/2	=	1.4	hr
T1/2	=	1.1	hr
T1/2	=	8.6	hr
T1/2	=	3.8	hr
T1/2	=	7.3	hr
T1/2	=	1.69	hr
T1/2	=	16	hr
T1/2	=	0.78	hr
T1/2	=	42	hr
T1/2	=	3.6	hr
T1/2	=	2.5	hr
T1/2	=	26	hr
T1/2	=	26	hr
T1/2	=	36	hr
T1/2	=	13	hr
T1/2	=	9.6	hr
T1/2	=	5.6	hr

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Glutamate receptor ionotropic, NMDA 1

External ID: CHEMBL5291805

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL330
ChEMBL Target Name: Glutamate (NMDA) receptor subunit zeta 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Progesterone receptor

External ID: CHEMBL5291860

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL208
ChEMBL Target Name: Progesterone receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Progesterone receptor

External ID: CHEMBL5291861

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL208
ChEMBL Target Name: Progesterone receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	=	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.3	AC50	>	300	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
320	AC50	=	320000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：3',5'-cyclic-AMP phosphodiesterase 4D

External ID: CHEMBL5291858

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL288
ChEMBL Target Name: Phosphodiesterase 4D
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.8844	AC50	=	2884.4	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.4	AC50	=	4400	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
17.9999	AC50	=	17999.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL5291852

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL236
ChEMBL Target Name: Delta opioid receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL5291853

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.4133	AC50	=	413.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.6099	AC50	=	2609.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
17.9999	AC50	=	17999.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.2429	AC50	=	2242.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
7.5	AC50	=	7500	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.1062	AC50	=	4106.2	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL4303810

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Activity Comment
Hit score	=	0.07667
Hit score	=	0.08432
Hit score	=	0.03233
Hit score	=	0.1032	N=2 (0.182401631,0.023899107)
Hit score	=	0.0587
Hit score	=	0.04532
Hit score	=	0.1213
Hit score	=	0.1255
Hit score	=	0.1871
Hit score	=	0.2217
Hit score	=	0.1243
Hit score	=	0.1603
Hit score	=	0.2724
Hit score	=	0.3773
Hit score	=	0.1041
Hit score	=	0.2216
Hit score	=	0.6828
Hit score	=	0.3285
Hit score	=	0.1291
Hit score	=	0.1698

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Glucocorticoid receptor

External ID: CHEMBL5291850

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL2034
ChEMBL Target Name: Glucocorticoid receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0017	AC50	=	1.7	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：ATP-binding cassette sub-family C member 2

External ID: CHEMBL1006005

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2008
Volume: 51
Issue: 11
First Page: 3275
Last Page: 3287
DOI: 10.1021/jm7015683

Target ChEMBL ID: CHEMBL5748
ChEMBL Target Name: Canalicular multispecific organic anion transporter 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	78	%
Activity	=	101	%
Activity	=	83	%
Activity	=	308	%
Activity	=	72	%
Activity	=	11	%
Activity	=	125	%
Activity	=	107	%
Activity	=	77	%
Activity	=	40	%
Activity	=	69	%
Activity	=	94	%
Activity	=	76	%
Activity	=	91	%
Activity	=	94	%
Activity	=	118	%
Activity	=	98	%
Activity	=	101	%
Activity	=	92	%
Activity	=	40	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Nuclear receptor subfamily 1 group I member 2

External ID: CHEMBL5291846

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL3401
ChEMBL Target Name: Pregnane X receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
13.4304	AC50	=	13430.4	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL4029349

Protocol: N/A

Comment: Journal: Drug Discov Today
Year: 2016
Volume: 21
Issue: 4
First Page: 648
Last Page: 653
DOI: 10.1016/j.drudis.2016.02.015

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
DILI_severity_class	=	3
DILI_severity_class	=	3
DILI_severity_class	=	3
DILI_severity_class	=	8
DILI_severity_class	=	7
DILI_severity_class	=	3
DILI_severity_class	=	0
DILI_severity_class	=	0
DILI_severity_class	=	3
DILI_severity_class	=	5
DILI_severity_class	=	0
DILI_severity_class	=	8
DILI_severity_class	=	8
DILI_severity_class	=	4
DILI_severity_class	=	5
DILI_severity_class	=	0
DILI_severity_class	=	8
DILI_severity_class	=	8
DILI_severity_class	=	5
DILI_severity_class	=	8

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Amine oxidase [flavin-containing] A

External ID: CHEMBL5291895

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL1951
ChEMBL Target Name: Monoamine oxidase A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
5.6	AC50	=	5600	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL4029350

Protocol: N/A

Standard Type	Activity Comment
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Ambiguous-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	No-Dili-Concern
DILI_Concern	Most-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Less-Dili-Concern
DILI_Concern	Most-Dili-Concern

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A

External ID: CHEMBL5291898

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL241
ChEMBL Target Name: Phosphodiesterase 3A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
6.1871	AC50	=	6187.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Sodium-dependent serotonin transporter

External ID: CHEMBL5291892

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL228
ChEMBL Target Name: Serotonin transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.018	AC50	=	18	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
11.5239	AC50	=	11523.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
6.8	AC50	=	6800	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.01	AC50	=	10	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Sodium-dependent noradrenaline transporter

External ID: CHEMBL5291891

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL222
ChEMBL Target Name: Norepinephrine transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
8.84	AC50	=	8840	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.27	AC50	=	270	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.083	AC50	=	83	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
15	AC50	=	15000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
29.9999	AC50	=	29999.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
18.6999	AC50	=	18699.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.6	AC50	=	600	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL5291894

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
8.1001	AC50	=	8100.1	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Whole blood

External ID: CHEMBL3062764

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 12
First Page: 4357
Last Page: 4368
DOI: 10.1007/s00044-012-9977-1

Target ChEMBL ID: CHEMBL2367389
ChEMBL Target Name: Whole blood
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Retention_time	=	3.61	min
Retention_time	=	2.6	min
Retention_time	=	5.48	min
Retention_time	=	2.7	min
Retention_time	=	4.88	min
Retention_time	=	5.81	min
Retention_time	=	5.79	min
Retention_time	=	5.13	min
Retention_time	=	6.56	min
Retention_time	=	6.22	min
Retention_time	=	5.63	min
Retention_time	=	2.1	min
Retention_time	=	2.21	min
Retention_time	=	5.28	min
Retention_time	=	4.95	min
Retention_time	=	6.08	min
Retention_time	=	5.1	min
Retention_time	=	5.92	min
Retention_time	=	4.94	min
Retention_time	=	5.99	min

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Sodium-dependent dopamine transporter

External ID: CHEMBL5291890

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL238
ChEMBL Target Name: Dopamine transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
23.6922	AC50	=	23692.2	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
13.8218	AC50	=	13821.8	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
19.5959	AC50	=	19595.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
14.6299	AC50	=	14629.9	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Thromboxane A2 receptor

External ID: CHEMBL5291889

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Nat Commun
Year: 2023
Volume: 14
Issue: 1
First Page: 1
Last Page: 17
DOI: 10.1038/s41467-023-40064-9

Target ChEMBL ID: CHEMBL2069
ChEMBL Target Name: Thromboxane A2 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
20.064	AC50	=	20064	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
15.3402	AC50	=	15340.2	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
10	AC50	>	10000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")

Standard Type	Standard Relation	Standard Value	Standard Units
MRT	=	2.6	hr
MRT	=	2.4	hr
MRT	=	11	hr
MRT	=	1.2	hr
MRT	=	1	hr
MRT	=	11	hr
MRT	=	4.2	hr
MRT	=	10	hr
MRT	=	1	hr
MRT	=	15	hr
MRT	=	1	hr
MRT	=	44	hr
MRT	=	4	hr
MRT	=	3.6	hr
MRT	=	27	hr
MRT	=	26	hr
MRT	=	38	hr
MRT	=	9.5	hr
MRT	=	12	hr
MRT	=	5.3	hr

Standard Type	Standard Relation	Standard Value	Standard Units
MRT	=	2.6	hr
MRT	=	2.4	hr
MRT	=	11	hr
MRT	=	1.2	hr
MRT	=	1	hr
MRT	=	11	hr
MRT	=	4.2	hr
MRT	=	10	hr
MRT	=	1	hr
MRT	=	15	hr
MRT	=	1	hr
MRT	=	44	hr
MRT	=	4	hr
MRT	=	3.6	hr
MRT	=	27	hr
MRT	=	26	hr
MRT	=	38	hr
MRT	=	9.5	hr
MRT	=	12	hr
MRT	=	5.3	hr

Standard Type	Standard Relation	Standard Value	Standard Units
MRT	=	2.6	hr
MRT	=	2.4	hr
MRT	=	11	hr
MRT	=	1.2	hr
MRT	=	1	hr
MRT	=	11	hr
MRT	=	4.2	hr
MRT	=	10	hr
MRT	=	1	hr
MRT	=	15	hr
MRT	=	1	hr
MRT	=	44	hr
MRT	=	4	hr
MRT	=	3.6	hr
MRT	=	27	hr
MRT	=	26	hr
MRT	=	38	hr
MRT	=	9.5	hr
MRT	=	12	hr
MRT	=	5.3	hr