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 gamma-2

External ID: CHEMBL5291799

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: CHEMBL5303741
ChEMBL Target Name: Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous protein complex subunits 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 ">")
3	AC50	>	3000	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 ">")
3	AC50	>	3000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
3	AC50	>	3000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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：Estrogen receptor

External ID: CHEMBL5291792

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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
3.5117	AC50	=	3511.7	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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0252	AC50	=	25.2	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 ">")
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 ">")
0.003	AC50	=	3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL912551

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: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.161	IC50	=	161	nM

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

来源：ChEMBL 靶标：Prothrombin

External ID: CHEMBL5291794

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: CHEMBL204
ChEMBL Target Name: Thrombin
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 ">")
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 ">")
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：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL912553

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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	Activity Comment
EC50	Not Determined

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL912554

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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
Efficacy	=	9	%
Efficacy	=	100	%

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: CHEMBL736139

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 19
First Page: 3185
Last Page: 3190
DOI: 10.1016/s0960-894x(03)00702-9

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	Standard Units
FPG correction	=	17	%

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

来源：24386 靶标：N/A

External ID: Sarm1 Tir NADase inhibitors screen

Protocol: NRK1-HEK293T cells were seeded onto 150 cm2 plates at 20 x 106 cells per plate. The next day, the cells were transfected with 15 microg FCIV-SST (SAM-TIR expression plasmid) using X-tremeGENE 9 DNA Transfection Reagent (Roche product #06365787001). The cultures were supplemented with 1 mM nicotinamide riboside at time of transfection to minimize toxicity from SAM-TIR overexpression. Forty-eight hours after transfection, cells were harvested, pelleted by centrifugation at 1,000 rpm (Sorvall ST 16R centrifuge, Thermo Fisher), and washed once with cold PBS (0.01 M phosphate buffered saline NaCl 0.138 M; KCl 0.0027 M; pH 7.4). The cells were resuspended in PBS with protease inhibitors (Complete protease inhibitor cocktail, Roche product # 11873580001) and cell lysates were prepared by sonication (Branson Sonifer 450, output = 3, 20 episodes of stroke). The lysates were centrifuged (12,000xg for 10 min at 4 degrees C) to remove cell debris and the supernatants (containing SARM1 SAM-TIR protein) were stored at -80 degrees C for later use in the in vitro SARM1 SAM-TIR NADase assay (see below). Protein concentration was determined by the Bicinchoninic (BCA) method.

This screen is an adaptation of the NAD/NADH Glo assay (Promega G9071). In this assay, NAD cycling enzymes convert NAD into NADH. In the presence of NADH, the reductase enzymatically converts a proluciferin reductase substrate into luciferin. Luciferin is detected using Ultra-GloTM rLuciferase, and the chemiluminescence intensity is proportional to the amount of NAD and NADH in the sample. In our diluted lysate alone, the amount of NAD and NADH is undetectable with this assay precluding any endogenous contribution to the final NAD detected. The assay was set up as follows: 2 microl candidate inhibitor (final concentration 1 microM, 2% DMSO), 0.07 microg lysate (2 microl), and 2 microl of 400 nM NAD. The reaction was incubated at 37 degrees C for 60 min, then 6 microl NAD/NADH Glo detection reagent was added. After 30 min at room temperature, the luminescent signals were quantified using a Cytation5 imaging reader (BioTek). The SARM1 SAM-TIR lysate catalyzed a dose-dependent depletion of NAD, whereas NAD levels did not decline when reactions were performed with lysate prepared from control NRK1-HEK293T cells.

Comment:

NAD(nM)
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10
10

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: CHEMBL983224

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 9
First Page: 2468
Last Page: 2473
DOI: 10.1016/j.bmcl.2009.03.036

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	Activity Comment
Activity	Active

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL912555

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: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
4.962	IC50	=	4962	nM

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL828585

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: 2005
Volume: 48
Issue: 7
First Page: 2262
Last Page: 2265
DOI: 10.1021/jm048993p

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.22	IC50	=	1220	nM

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: CHEMBL5291779

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
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 ">")
15.541	AC50	=	15541	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.1568	AC50	=	156.8	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 ">")
0.3	AC50	>	300	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
5.46	AC50	=	5460	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.1434	AC50	=	143.4	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 ">")
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 ">")
8.0255	AC50	=	8025.5	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：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL912556

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: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.94	EC50	=	2940	nM

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL828434

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: 2005
Volume: 48
Issue: 7
First Page: 2262
Last Page: 2265
DOI: 10.1021/jm048993p

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.48	IC50	=	480	nM

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

来源：ChEMBL 靶标：D(3) dopamine receptor

External ID: CHEMBL5291782

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: CHEMBL234
ChEMBL Target Name: Dopamine D3 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 ">")
17.5239	AC50	=	17523.9	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 ">")
5.1764	AC50	=	5176.4	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 ">")
0.3	AC50	>	300	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
4.1256	AC50	=	4125.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0393	AC50	=	39.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
10.5143	AC50	=	10514.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL911937

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 24
First Page: 6328
Last Page: 6333
DOI: 10.1016/j.bmcl.2006.09.011

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
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
Efficacy	=	35	%
Efficacy	=	9	%

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_3147_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	Standard Relation	PubChem Standard Value	EC50 Qualifier	EC50	Target Accession(s)	Ligand	Target
EC50		55		55000	Q07869	BDBM28699	Peroxisome proliferator-activated receptor alpha
EC50		30		30000	Q07869	BDBM28700	Peroxisome proliferator-activated receptor alpha
EC50		50		50000	Q07869	BDBM28701	Peroxisome proliferator-activated receptor alpha
EC50		2		2000	Q07869	BDBM28702	Peroxisome proliferator-activated receptor alpha
EC50		0.004		4	Q03181	BDBM28702	Peroxisome proliferator-activated receptor delta
EC50		10		10000	P37231	BDBM28702	Peroxisome proliferator-activated receptor gamma
EC50		0.24		240	Q07869	BDBM28707	Peroxisome proliferator-activated receptor alpha
EC50	>	10	>	10000	Q03181	BDBM28707	Peroxisome proliferator-activated receptor delta
EC50	>	10	>	10000	P37231	BDBM28707	Peroxisome proliferator-activated receptor gamma
EC50		1.32		1320	Q07869	BDBM28708	Peroxisome proliferator-activated receptor alpha
EC50		6.26		6260	Q03181	BDBM28708	Peroxisome proliferator-activated receptor delta
EC50	>	10	>	10000	P37231	BDBM28708	Peroxisome proliferator-activated receptor gamma

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL950102

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: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 6
First Page: 2128
Last Page: 2132
DOI: 10.1016/j.bmcl.2008.01.086

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.3	EC50	=	300	nM
0.03	EC50	=	30	nM

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

External ID: CHEMBL5291830

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
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 ">")
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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
27.2446	AC50	=	27244.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
3.2058	AC50	=	3205.8	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：Vascular endothelial growth factor receptor 2

External ID: CHEMBL5291829

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: CHEMBL279
ChEMBL Target Name: Vascular endothelial growth factor receptor 2
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 ">")
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 ">")
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：Mus musculus

External ID: CHEMBL736233

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 19
First Page: 3185
Last Page: 3190
DOI: 10.1016/s0960-894x(03)00702-9

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	Standard Units
Heart weight	=	1.18	g

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

来源：23209 靶标：N/A

External ID: UIHTS20180925

Protocol: Assay overview:
The purpose of this assay is to identify test compounds that differentially kill either epithelial cells or mesenchymal cells, critical components of EMT. The PC-3E+ and TEM4-18 cell lines, characterized as epithelial cells and mesenchymal cells respectively, were established in Henry Lab (Ref 1). For potential discriminative modulators of EMT, the two cells lines were labeled with GFP and mCherry respectively, and co-cultured together to eliminate those hits that non-discriminatingly kill both epithelial cells and mesenchymal cells by cytotoxicity irrelevant to the EMT properties.
Protocol for the EMT project:
The primary screening data were generated as described in HTS assay protocol table (Ref 2).

Table 1: HTS assay protocol table
Step Parameter Value Description
1. Plate cells 200 uL By MultiFlo. PC3E GFP 2,000 cells/ well and TEM418 mCherry 2,000 cells/well (1:1). Overnight incubation
2. Remove media Flip the plate
3. Add fresh media 150 uL By MultiFlo
4. Controls 200 uL C01-H01, C12 -H12, Hygromycin dose response from H to C were positive control. Wells A01, B01, A12 and B12 were negative control
5. Library 50 uL MSSP library 1 uM final from middle plate in full media
6. Incubation 72 hrs 37 C and 5% CO2
7. Assay readout GFP and mCherry channel imaging Perkin Elmer Operetta high content imaging system, with Harmony image analysis software.
8. Image analysis Green cells and Read cells counting Normalized to the average cell number of well B1 and B12 (no inhibition of cell viability) controls on each plate to get relative cell viability for each well.
9. Hit selection 11 hits The hit criteria for preferential cell killing are compounds that Redcells_Normalized is lower or equal 0.41, GreenCells_Normalized is higher or equal
0.55, RedCells/GreenCells_Normalized ratio is lower or equal 0.65, and Non-fluorescent by itself for Red cell killing OR Greencells_Normalized is
lower or equal 0.41, RedCells_Normalized is higher or equal 0.46, RedCells/GreenCells_Normalized ratio is higher or equal 1.8 and Non-fluorescent
by itself for Green cell killing.

The primary screening data (imaging data) were translated into Green or Red cell numbers in each well in the data file.

Comment: Preferential killing compounds are considered as active hits (score of 100) when meeting one of two groups of criteria:

1. Compounds that Redcells_Normalized is lower or equal 0.41, GreenCells_Normalized is higher or equal 0.55, RedCells/GreenCells_Normalized ratio is lower or equal 0.65, and Non-fluorescent by itself for Red cell killing.

OR

2. Greencells_Normalized is lower or equal 0.41, RedCells_Normalized is higher or equal 0.46, RedCells/GreenCells_Normalized ratio is higher or equal 1.8 and Non-fluorescent by itself for Green cell killing.

No. of GreenCells	No. of RedCells	GreenCells_Normalized	RedCells_Normalized	RedCells/GreenCells_Normalized
1789	1180	0.88	1.08	1.22
1961	1081	0.97	0.99	1.02
1876	1291	0.93	1.18	1.27
2244	1094	1.11	1	0.9
2275	1210	1.12	1.11	0.98
1995	1398	0.98	1.28	1.3
2123	1293	1.05	1.18	1.13
2281	1227	1.13	1.12	1
1964	1090	0.97	1	1.03
2110	1295	1.04	1.18	1.14
2342	1361	1.16	1.24	1.08
2014	1316	0.99	1.2	1.21
2021	1270	1	1.16	1.16
2160	1287	1.07	1.18	1.1
2022	1197	1	1.09	1.1
1798	1082	0.89	0.99	1.11
1938	1199	1.08	1.06	0.98
2000	1260	1.12	1.11	0.99
1971	1201	1.1	1.06	0.96
2100	1130	1.17	1	0.85

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: CHEMBL4303805

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	Data Validity Comment
Inhibition	=	-11.52	%	Outside typical range
Inhibition	=	5.09	%
Inhibition	=	-1.71	%
Inhibition	=	3.69	%
Inhibition	=	22.47	%
Inhibition	=	8.51	%
Inhibition	=	-6.86	%
Inhibition	=	-6.18	%
Inhibition	=	-2.07	%
Inhibition	=	3.91	%
Inhibition	=	-5.9	%
Inhibition	=	-2.45	%
Inhibition	=	-5.55	%
Inhibition	=	6.31	%
Inhibition	=	-1.08	%
Inhibition	=	12.7	%
Inhibition	=	0.37	%
Inhibition	=	8.88	%
Inhibition	=	11.63	%
Inhibition	=	-1.96	%

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: CHEMBL5291820

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
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 ">")
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 ">")
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：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL950103

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: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 6
First Page: 2128
Last Page: 2132
DOI: 10.1016/j.bmcl.2008.01.086

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.3	EC50	=	300	nM
10	EC50	=	10000	nM

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

来源：ChEMBL 靶标：Prostaglandin G/H synthase 1

External ID: CHEMBL3819989

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2016
Volume: 59
Issue: 9
First Page: 4121
Last Page: 4151
DOI: 10.1021/acs.jmedchem.6b00078

Target ChEMBL ID: CHEMBL221
ChEMBL Target Name: Cyclooxygenase-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
Inhibition	=	18	%
Inhibition	=	14	%
Inhibition	=	48	%

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: CHEMBL732238

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 19
First Page: 3185
Last Page: 3190
DOI: 10.1016/s0960-894x(03)00702-9

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	Standard Units
BAT weight	=	0.33	g

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: CHEMBL5291815

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 ">")
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 ">")
0.2905	AC50	=	290.5	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.0146	AC50	=	14.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
5.3315	AC50	=	5331.5	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
0.6038	AC50	=	603.8	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：Histamine H3 receptor

External ID: CHEMBL5291812

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: CHEMBL264
ChEMBL Target Name: Histamine H3 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 ">")
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 ">")
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：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL824652

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 13
First Page: 2061
Last Page: 2064
DOI: 10.1021/jm0155188

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
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
Efficacy	<	20	%
Efficacy	<	20	%
Efficacy	=	20	%

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

来源：ChEMBL 靶标：Fatty acid-binding protein, liver

External ID: CHEMBL964792

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: 2008
Volume: 51
Issue: 13
First Page: 3755
Last Page: 3764
DOI: 10.1021/jm701192w

Target ChEMBL ID: CHEMBL5738
ChEMBL Target Name: Fatty acid-binding protein, liver
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1.86	Ki	=	1860	nM
0.18	Ki	=	180	nM
11.6	Ki	=	11600	nM
0.379	Ki	=	379	nM
47.6	Ki	=	47600	nM
0.027	Ki	=	27	nM
1.18	Ki	=	1180	nM
6.92	Ki	=	6920	nM
1.27	Ki	=	1270	nM
12.9	Ki	=	12900	nM
2.66	Ki	=	2660	nM
0.024	Ki	=	24	nM
3.22	Ki	=	3220	nM
0.334	Ki	=	334	nM
1.1	Ki	=	1100	nM
22.1	Ki	=	22100	nM
2310	Ki	=	2310000	nM	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：Progesterone receptor

External ID: CHEMBL5291863

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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
1.8482	AC50	=	1848.2	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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
0.46	AC50	=	460	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 ">")
0.6591	AC50	=	659.1	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 ">")
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：Mus musculus

External ID: CHEMBL733796

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 19
First Page: 3185
Last Page: 3190
DOI: 10.1016/s0960-894x(03)00702-9

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	Standard Units
Body weight	=	308	g

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL824653

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 13
First Page: 2061
Last Page: 2064
DOI: 10.1021/jm0155188

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
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
Efficacy	=	0	%
Efficacy	=	54	%
Efficacy	=	92	%
Efficacy	=	30	%
Efficacy	=	16	%
Efficacy	=	9	%

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL881438

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 13
First Page: 2061
Last Page: 2064
DOI: 10.1021/jm0155188

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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 Units	Activity Comment
IC50	nM	Not Active

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL824658

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 13
First Page: 2061
Last Page: 2064
DOI: 10.1021/jm0155188

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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
Efficacy	=	79	%
Efficacy	=	109	%
Efficacy	=	123	%
Efficacy	=	61	%
Efficacy	=	0	%
Efficacy	=	100	%

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL824657

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 13
First Page: 2061
Last Page: 2064
DOI: 10.1021/jm0155188

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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
Efficacy	<	20	%

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: CHEMBL5291856

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 ">")
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 ">")
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：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL1042381

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: 2009
Volume: 52
Issue: 20
First Page: 6382
Last Page: 6393
DOI: 10.1021/jm900941b

Target ChEMBL ID: CHEMBL235
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.572	EC50	=	572	nM
0.4	EC50	=	400	nM
1.4	EC50	=	1400	nM

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: CHEMBL5291855

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 ">")
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 ">")
15.0276	AC50	=	15027.6	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
27.6179	AC50	=	27617.9	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 ">")
0.3	AC50	>	300	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
2.7334	AC50	=	2733.4	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 ">")
1.9003	AC50	=	1900.3	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements 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 ">")
5.1789	AC50	=	5178.9	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：Chloride channel isoform 1

External ID: CHEMBL1042382

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 20
First Page: 6382
Last Page: 6393
DOI: 10.1021/jm900941b

Target ChEMBL ID: CHEMBL1075236
ChEMBL Target Name: Chloride channel isoform 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	=	28	%
Activity	=	11	%
Activity	=	12	%

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor alpha

External ID: CHEMBL1042379

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: 2009
Volume: 52
Issue: 20
First Page: 6382
Last Page: 6393
DOI: 10.1021/jm900941b

Target ChEMBL ID: CHEMBL239
ChEMBL Target Name: Peroxisome proliferator-activated receptor alpha
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0115	EC50	=	11.5	nM
0.15	EC50	=	150	nM
0.488	EC50	=	488	nM

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 4A

External ID: CHEMBL5291857

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: CHEMBL254
ChEMBL Target Name: Phosphodiesterase 4A
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 ">")
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 ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
1.146	AC50	=	1146	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
30	AC50	>	30000	nM	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")
19.3268	AC50	=	19326.8	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 ">")
2.5092	AC50	=	2509.2	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 ">")
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：Mus musculus

External ID: CHEMBL733949

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 19
First Page: 3185
Last Page: 3190
DOI: 10.1016/s0960-894x(03)00702-9

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	Standard Units
Change	=	-18	%

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：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：N/A

External ID: CHEMBL3820140

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2016
Volume: 59
Issue: 9
First Page: 4121
Last Page: 4151
DOI: 10.1021/acs.jmedchem.6b00078

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	2

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

来源：NCGC 靶标：

External ID: APP-Toga-CHIKV-nsp2-p

Protocol: PROTOCOL TABLE (as described by Inglese J, Shamu CE and Guy RK. 2007)
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION.
1; Control / Compound; 20 nL; Echo 655 acoustic dispenser, Greiner 1536-well solid bottom black plate.
2; Enzyme; 4 uL; BioRAPTR FRD liquid dispenser (Beckman Coulter).
3; Incubation; 15 min; room temperature.
4; Reagent; 4 uL; 2.5 uM Peptide 2 substrate.
5; Incubation; 1 hr; room temperature.
6; Detection; Fluorescence; WiewLux microplate reader (PerkinElmer), 525 nm excitation, 598/25 nm emission.

NOTES (numbers refer to sequence numbers above).
1. Briefly, 20 nL DMSO, positive control ZnAc (20nM final concentration), and test compounds were transferred into a 1,536-well solid bottom black plate (789176-F, Greiner One) via Echo 655 acoustic dispenser (Beckman Coulter). For primary screens, compounds were tested at 7 concentrations, 1:3 dilution points ranging from 25 uM to 34 nM. Follow-up confirmatory screens were carried out at 11 concentrations, 1:3 dilution points from 25 uM to 0.42 nM.
2. Four uL nsP2pro enzyme mix (150 nM final concentration) in 10 mM Tris-HCl pH 8.0 with 0.01% Tween 20 assay buffer was dispensed into the plate using a BioRAPTR FRD liquid dispenser (Beckman Coulter).
3. The plate was incubated at room temperature (protected from light) for 15 min
4. Four microliter of peptide 2 substrate (2.5 uM final concentration) in assay buffer was added to the plate.
5. After 1 hour, plates were immediately read on a ViewLux high-throughput CCD imager (Exposure = 10 sec, Gain = High, Speed = Slow, Binning = 2X). The above assay was also incorporated in the NCATS HTS facility41, which allowed for robotic liquid and compound dispensing, microplate handling, and fluorescence reading..

REFERENCE:
Inglese J, Shamu CE and Guy RK, Reporting data from high throughput screening of small molecule libraries, Nature Chemical Biology, 2007, 3(8): 438-441. doi.org/10.1038/nchembio0807-438.

Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods [1].

Compound Ranking:
1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.

Reference:
1. Inglese J, Auld DS, Jadhav A, et al. Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries. Proc Natl Acad Sci U S A. 2006;103(31):11473-11478.

Phenotype	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.0001439601 uM	Activity at 0.0003895389 uM	Activity at 0.00154 uM	Activity at 0.00290 uM	Activity at 0.00833 uM	Activity at 0.041 uM	Activity at 0.095 uM	Activity at 0.199 uM	Activity at 0.321 uM	Activity at 0.689 uM	Activity at 1.028 uM	Activity at 2.684 uM	Activity at 5.101 uM	Activity at 10.05 uM	Activity at 24.85 uM	Compound QC
Inactive				0	0	4		58.4116	43.5916	25.8843	33.4207	9.1109	21.6395	45.6886	10.8911		28.3955	31.3127		38.9914		41.6558	58.4116	QC'd by Sytravon
Inactive				0	0	4		-12.6805						-10.7548		-9.5107			-10.6418		-15.9997		-12.6805	QC'd by Sytravon
Inactive				0	0	4		-7.1462						-9.2235		-11.8601			-6.118		-12.2196		-7.1462	QC'd by Sytravon
Inactive	-4.75	4.9549	0.6661	-22.0013	-2	4	0 0 0 0 0	-18.751						-10.987		-0.9935			2.356		1.2583		-18.751	QC'd by Sytravon
Inactive				0	0	4		-11.1249						-10.2692		-11.5229			-11.032		-13.325		-11.1249	QC'd by Sytravon
Inactive	-4.8	1.8851	0.5555	-23.9168	-5.4088	4	0 0 0 0 0	-18.264						-13.0121		-2.8407			-6.6548		-7.1687		-18.264	QC'd by Sytravon
Inactive	-6.35	4.9549	0.9083	-3.1815	-14.9283	4	0 0 0 0 1	-10.2909						-13.1276		-17.0236			-1.4012		-4.6174		-10.2909	QC'd by Sytravon
Inactive	-5.95	0.4	0.9812	-20.7272	-0.9942	4	0 0 0 0 0	-16.0227						-4.9952		-8.1266			-9.7286		-14.3153		-16.0227	QC'd by Sytravon
Inactive	-6.5	4.9549	0.6409	-9.2158	-16.6011	4	0 0 0 0 1	-12.7654						-16.3342		-16.1896			-6.0131		-13.084		-12.7654	QC'd by Sytravon
Inactive				0	0	4		1.975						2.6103		3.4198			-3.4748		1.7624		1.975	QC'd by Sytravon
Inactive				0	0	4		-8.2223						-0.1456		-4.3339			-1.582		-3.6253		-8.2223	QC'd by Sytravon
Inactive	-7.25	4.9549	0.602	-10.0715	2	4	0 0 0 0 0	-12.6011						0.2325		-14.2262			-4.5441		-8.7364		-12.6011	QC'd by Sytravon
Inactive	-4.75	4.5045	0.9809	-24.6554	-10.8442	4	0 0 0 0 0	-22.2129						-9.8702		-10.3098			-11.7375		-10.6121		-22.2129	QC'd by Sytravon
Inactive	-4.75	4.9549	0.8409	-13.5514	2	4	0 0 0 0 0	-11.2928						-1.9276		4.6106			1.3336		4.0275		-11.2928	QC'd by Sytravon
Inactive	-5.2	0.5	0.9077	-28.8252	-9.4452	4	0 0 0 0 0	-23.1876						-10.7877		-12.0613			-16.7104		-16.3414		-23.1876	QC'd by Sytravon
Inactive				0	0	4		-18.3436						-16.2788		-21.7212			-19.8613		-16.6894		-18.3436	QC'd by Sytravon
Inactive				0	0	4		-5.4025						-9.518		-0.1694			0.2848		-4.8162		-5.4025	QC'd by Sytravon
Inactive				0	0	4		-23.1229						-14.0834		-13.5556			-16.7644		-18.8145		-23.1229	QC'd by Sytravon
Inactive	-4.95	3.2975	0.9426	-35.5663	-15.2262	4	0 0 0 0 0	-34.2687						-12.6885		-18.3414			-14.0693		-16.4909		-34.2687	QC'd by Sytravon
Inactive	-4.75	4.9549	0.7952	-15.6253	-4.8932	4	0 0 0 0 0	-13.8544						-4.3645		-8.5252			-3.661		-3.9903		-13.8544	QC'd by Sytravon

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

来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma

External ID: CHEMBL760254

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: 1999
Volume: 42
Issue: 19
First Page: 3785
Last Page: 3788
DOI: 10.1021/jm9903601

Target ChEMBL ID: CHEMBL2459
ChEMBL Target Name: Peroxisome proliferator-activated receptor gamma
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
250	EC50	=	250000	nM	Outside typical range
1	EC50	=	1000	nM
0.012	EC50	=	12	nM
0.4	EC50	=	400	nM

42017-89-0 靶点实验数据