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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL668112

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 15
First Page: 2912
Last Page: 2915
DOI: 10.1021/jm00093a026

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
k_off	=	22	s-1
k_off	=	3.5	s-1
k_off	=	1.4	s-1

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: CHEMBL696565

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

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
Kd	=	1.4
Kd	=	10
Kd	=	0.6

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: CHEMBL699207

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

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
Kd	=	5
Kd	=	0.443
Kd	=	25

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: CHEMBL1819635

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 11
First Page: 3512
Last Page: 3519
DOI: 10.1016/j.bmc.2011.04.019

Standard Type	Standard Relation	Standard Value	Standard Units
Kcat/Km	=	185.71	/s/M

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: CHEMBL1819634

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 11
First Page: 3512
Last Page: 3519
DOI: 10.1016/j.bmc.2011.04.019

Standard Type	Standard Relation	Standard Value	Standard Units
Kcat/Km	=	322.35	/s/M

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: CHEMBL697609

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

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
Kd	=	50
Kd	=	0.0048
Kd	=	40

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: CHEMBL4513082

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	Standard Units
Inhibition	=	0.24	%
Inhibition	=	4.58	%
Inhibition	=	-0.3	%
Inhibition	=	-0.3	%
Inhibition	=	-0.04	%
Inhibition	=	-0.04	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	-0.27	%
Inhibition	=	-0.27	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	14.41	%
Inhibition	=	0.39	%

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

来源：ChEMBL 靶标：Solute carrier organic anion transporter family member 1B3

External ID: CHEMBL3039491

Protocol: N/A

Comment: Journal: Mol Pharmacol
Year: 2013
Volume: 83
Issue: 6
First Page: 1257
Last Page: 1267
DOI: 10.1124/mol.112.084152

Target ChEMBL ID: CHEMBL1743121
ChEMBL Target Name: Solute carrier organic anion transporter family member 1B3
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	89.51	%
Inhibition	=	81.71	%
Inhibition	=	65.47	%
Inhibition	=	50.32	%
Inhibition	=	112.43	%
Inhibition	=	99.94	%
Inhibition	=	101.75	%
Inhibition	=	98.72	%
Inhibition	=	104.08	%
Inhibition	=	114.2	%
Inhibition	=	97.5	%
Inhibition	=	120.61	%
Inhibition	=	45.56	%
Inhibition	=	105.72	%
Inhibition	=	107.28	%
Inhibition	=	93.09	%
Inhibition	=	84.51	%
Inhibition	=	155.79	%	Outside typical range
Inhibition	=	97.26	%
Inhibition	=	72.91	%

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

来源：ChEMBL 靶标：Replicase polyprotein 1ab

External ID: CHEMBL4495582

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523582
ChEMBL Target Name: Replicase polyprotein 1ab
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	13.77	%
Inhibition	=	2.35	%
Inhibition	=	21.17	%
Inhibition	=	18.36	%
Inhibition	=	5.381	%
Inhibition	=	18.17	%
Inhibition	=	10.15	%
Inhibition	=	29.56	%
Inhibition	=	18.27	%
Inhibition	=	11.42	%
Inhibition	=	15.4	%
Inhibition	=	7.437	%
Inhibition	=	-3.216	%
Inhibition	=	18	%
Inhibition	=	1.021	%
Inhibition	=	16.4	%
Inhibition	=	2.544	%
Inhibition	=	19.11	%
Inhibition	=	26.15	%
Inhibition	=	5.133	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL734994

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Kd	=	0.2
Kd	=	220
Kd	=	1.4

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

来源：ChEMBL 靶标：Solute carrier organic anion transporter family member 1B1

External ID: CHEMBL3039488

Protocol: N/A

Comment: Journal: Mol Pharmacol
Year: 2013
Volume: 83
Issue: 6
First Page: 1257
Last Page: 1267
DOI: 10.1124/mol.112.084152

Target ChEMBL ID: CHEMBL1697668
ChEMBL Target Name: Solute carrier organic anion transporter family member 1B1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	65.85	%
Inhibition	=	63.37	%
Inhibition	=	75.25	%
Inhibition	=	97.38	%
Inhibition	=	105.26	%
Inhibition	=	97.94	%
Inhibition	=	105.32	%
Inhibition	=	99.4	%
Inhibition	=	101.01	%
Inhibition	=	86.27	%
Inhibition	=	80.06	%
Inhibition	=	89.01	%
Inhibition	=	120.91	%
Inhibition	=	102.46	%
Inhibition	=	101.26	%
Inhibition	=	90.74	%
Inhibition	=	113.76	%
Inhibition	=	82.92	%
Inhibition	=	126.2	%
Inhibition	=	116.63	%

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

来源：ChEMBL 靶标：2-dehydropantoate 2-reductase

External ID: CHEMBL854530

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: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 16
First Page: 4992
Last Page: 5000
DOI: 10.1021/jm060490r

Target ChEMBL ID: CHEMBL4855
ChEMBL Target Name: Ketopantoate reductase
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	Data Validity Comment
373	Kd	=	373000	nM	Outside typical range
100	Kd	=	100000	nM
61	Kd	=	61000	nM
6300	Kd	=	6300000	nM	Outside typical range
66	Kd	=	66000	nM
5.8	Kd	=	5800	nM

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL734995

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Kd	=	0.81
Kd	=	1.85

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL668109

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 15
First Page: 2912
Last Page: 2915
DOI: 10.1021/jm00093a026

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
k_off	=	28	s-1
k_off	=	28	s-1
k_off	=	12.2	s-1

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

来源：ChEMBL 靶标：Choline O-acetyltransferase

External ID: CHEMBL662977

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 12
First Page: 1534
Last Page: 1537
DOI: 10.1021/jm00144a035

Target ChEMBL ID: CHEMBL4039
ChEMBL Target Name: Choline acetylase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Units	Activity Comment
Ki	nM	No inhibition
Ki	nM	No inhibition

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL668110

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 15
First Page: 2912
Last Page: 2915
DOI: 10.1021/jm00093a026

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
k_off	=	56	s-1
k_off	=	56	s-1
k_off	=	14	s-1

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: CHEMBL849811

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

Standard Type	Standard Relation	Standard Value
Kd	=	1.3
Kd	=	10
Kd	=	0.05

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL668111

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 15
First Page: 2912
Last Page: 2915
DOI: 10.1021/jm00093a026

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
k_off	=	76	s-1
k_off	=	60	s-1
k_off	=	3.6	s-1

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: CHEMBL849810

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1996
Volume: 39
Issue: 9
First Page: 1763
Last Page: 1766
DOI: 10.1021/jm950793d

Standard Type	Standard Relation
Kd	=
Kd	=
Kd	=

53-59-8 靶点实验数据