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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL4014746

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
0.79	IC50	=	790	nM
3.8	IC50	=	3800	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4014747

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
0.07	IC50	=	70	nM
0.12	IC50	=	120	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL4181978

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 24
First Page: 5409
Last Page: 5414
DOI: 10.1016/j.bmcl.2017.11.009

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
Inhibition	%	Active

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

来源：ChEMBL 靶标：Cytochrome P450 2C9

External ID: CHEMBL4014740

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL3397
ChEMBL Target Name: Cytochrome P450 2C9
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
50	IC50	>	50000	nM
50	IC50	>	50000	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4181980

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 24
First Page: 5409
Last Page: 5414
DOI: 10.1016/j.bmcl.2017.11.009

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Active

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

来源：ChEMBL 靶标：Cytochrome P450 2C19

External ID: CHEMBL4014741

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL3622
ChEMBL Target Name: Cytochrome P450 2C19
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
50	IC50	>	50000	nM
50	IC50	>	50000	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL4707030

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2016
Volume: 59
Issue: 23.0
First Page: 10498
Last Page: 10519
DOI: 10.1021/acs.jmedchem.6b00912

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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	=	76	%

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL4014748

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
1.4	IC50	=	1400	nM
4.52	IC50	=	4520	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4014749

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
0.032	IC50	=	32	nM
0.12	IC50	=	120	nM

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

来源：ChEMBL 靶标：Cytochrome P450 3A4

External ID: CHEMBL4181962

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 24
First Page: 5409
Last Page: 5414
DOI: 10.1016/j.bmcl.2017.11.009

Target ChEMBL ID: CHEMBL340
ChEMBL Target Name: Cytochrome P450 3A4
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
10	IC50	>	10000	nM
10	IC50	>	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：DNA-dependent protein kinase catalytic subunit

External ID: CHEMBL827974

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: 2
First Page: 569
Last Page: 585
DOI: 10.1021/jm049526a

Target ChEMBL ID: CHEMBL3142
ChEMBL Target Name: DNA-dependent protein kinase
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
1.5	IC50	=	1500	nM
1.2	IC50	=	1200	nM
0.23	IC50	=	230	nM
1.26	IC50	=	1260	nM
5.71	IC50	=	5710	nM
10	IC50	>	10000	nM
5.15	IC50	=	5150	nM
6.66	IC50	=	6660	nM
2.24	IC50	=	2240	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
5.35	IC50	=	5350	nM
10	IC50	>	10000	nM
0.28	IC50	=	280	nM
8.05	IC50	=	8050	nM
1.38	IC50	=	1380	nM
1.65	IC50	=	1650	nM
6.17	IC50	=	6170	nM

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

来源：ChEMBL 靶标：Cytochrome P450 2D6

External ID: CHEMBL4014738

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL289
ChEMBL Target Name: Cytochrome P450 2D6
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
10	IC50	>	10000	nM
10	IC50	>	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：Cytochrome P450 1A2

External ID: CHEMBL5329933

Protocol: N/A

Comment: Journal: RSC Med Chem
Year: 2023
Volume: 14
Issue: 9
First Page: 1787
Last Page: 1802
DOI: 10.1039/d3md00267e

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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	=	83.5	%

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

来源：ChEMBL 靶标：Cytochrome P450 3A4

External ID: CHEMBL4014739

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL340
ChEMBL Target Name: Cytochrome P450 3A4
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
10	IC50	>	10000	nM
10	IC50	>	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：Cytochrome P450 1B1

External ID: CHEMBL4014736

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
0.002	IC50	=	2	nM
0.268	IC50	=	268	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL4014737

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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
10	IC50	=	10000	nM
5	IC50	=	5000	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL4014735

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: Eur J Med Chem
Year: 2017
Volume: 130
First Page: 320
Last Page: 327
DOI: 10.1016/j.ejmech.2017.02.032

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
405	IC50	=	405000	nM	Outside typical range
0.477	IC50	=	477	nM

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: CHEMBL5325810

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: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10	IC50	=	10000	nM
51.4	IC50	=	51400	nM
10	IC50	>	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：N/A

External ID: CHEMBL5325811

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	106
Ratio IC50	=	19.7
Ratio IC50	>	500000

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: CHEMBL5325808

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	6
Ratio IC50	=	23
Ratio IC50	=	19900

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: CHEMBL5325809

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Standard Type	Standard Relation	Standard Value
Ratio IC50	>	70
Ratio IC50	=	56
Ratio IC50	>	50000

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL5325806

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: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
0.012	IC50	=	12	nM
9.2	IC50	=	9200	nM
4.57	IC50	=	4570	nM

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

来源：ChEMBL 靶标：Cytochrome P450 2C19

External ID: CHEMBL5325807

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: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4523986
ChEMBL Target Name: Cytochrome P450
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	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：Cytochrome P450 1B1

External ID: CHEMBL5325805

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: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
4.3E-5	IC50	=	0.043	nM
0.37	IC50	=	370	nM
3.1E-4	IC50	=	0.31	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL4009474

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: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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
0.168	IC50	=	168	nM
0.22	IC50	=	220	nM
4.7	IC50	=	4700	nM
0.162	IC50	=	162	nM
0.48	IC50	=	480	nM
0.669	IC50	=	669	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4009472

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: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
0.031	IC50	=	31	nM
0.015	IC50	=	15	nM
0.077	IC50	=	77	nM
0.064	IC50	=	64	nM
0.13	IC50	=	130	nM
0.133	IC50	=	133	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL2350270

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2013
Volume: 23
Issue: 7
First Page: 2031
Last Page: 2034
DOI: 10.1016/j.bmcl.2013.02.023

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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	>	93	%

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL4009473

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: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
0.297	IC50	=	297	nM
4.7	IC50	=	4700	nM
31.8	IC50	=	31800	nM
2.6	IC50	=	2600	nM
3.5	IC50	=	3500	nM
0.058	IC50	=	58	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL4017991

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 11
First Page: 2443
Last Page: 2449
DOI: 10.1016/j.bmcl.2017.04.006

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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	=	45	%
Inhibition	>	80	%

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL4017989

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: 2017
Volume: 27
Issue: 11
First Page: 2443
Last Page: 2449
DOI: 10.1016/j.bmcl.2017.04.006

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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
0.24	IC50	=	240	nM
33	IC50	=	33000	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL2354050

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2013
Volume: 56
Issue: 10
First Page: 4082
Last Page: 4092
DOI: 10.1021/jm4003654

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Cytochrome P450 2A6

External ID: CHEMBL2354043

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2013
Volume: 56
Issue: 10
First Page: 4082
Last Page: 4092
DOI: 10.1021/jm4003654

Target ChEMBL ID: CHEMBL5282
ChEMBL Target Name: Cytochrome P450 2A6
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
25	IC50	>	25000	nM
25	IC50	>	25000	nM
25	IC50	>	25000	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4009479

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Cytochrome P450 2B6

External ID: CHEMBL2354042

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: 2013
Volume: 56
Issue: 10
First Page: 4082
Last Page: 4092
DOI: 10.1021/jm4003654

Target ChEMBL ID: CHEMBL4729
ChEMBL Target Name: Cytochrome P450 2B6
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
25	IC50	>	25000	nM
25	IC50	>	25000	nM
6.62	IC50	=	6620	nM

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: CHEMBL4009458

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Standard Type	Standard Relation	Standard Value	Standard Units
Solubility	=	6.45	ug.mL-1
Solubility	=	68.58	ug.mL-1
Solubility	=	538.43	ug.mL-1

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4009459

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Standard Type	Standard Relation	Standard Value	Standard Units
Solubility	=	0.58	ug.mL-1
Solubility	=	0.45	ug.mL-1
Solubility	=	0.27	ug.mL-1

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4009457

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Standard Type	Standard Relation	Standard Value	Standard Units
Solubility	=	6.85	ug.mL-1
Solubility	=	14.51	ug.mL-1
Solubility	=	20.07	ug.mL-1

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325824

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
FC	=	23
FC	=	340
FC	=	15700

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325822

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	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：Cytochrome P450 1B1

External ID: CHEMBL5325823

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	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：Cytochrome P450 1B1

External ID: CHEMBL5325820

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Inhibition	%	Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325821

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
log(activity)	=	1
log(activity)	=	1
log(activity)	=	1

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

来源：ChEMBL 靶标：Cytochrome P450 1A1

External ID: CHEMBL2354055

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: 2013
Volume: 56
Issue: 10
First Page: 4082
Last Page: 4092
DOI: 10.1021/jm4003654

Target ChEMBL ID: CHEMBL2231
ChEMBL Target Name: Cytochrome P450 1A1
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
0.043	IC50	=	43	nM
0.15	IC50	=	150	nM
0.11	IC50	=	110	nM
0.27	IC50	=	270	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325818

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
Selectivity ratio	=	0.32
Selectivity ratio	=	0.1
Selectivity ratio	=	0.76

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

来源：ChEMBL 靶标：Cytochrome P450 1A2

External ID: CHEMBL2354054

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: 2013
Volume: 56
Issue: 10
First Page: 4082
Last Page: 4092
DOI: 10.1021/jm4003654

Target ChEMBL ID: CHEMBL3356
ChEMBL Target Name: Cytochrome P450 1A2
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
0.019	IC50	=	19	nM
20	IC50	>	20000	nM
0.76	IC50	=	760	nM
0.014	IC50	=	14	nM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL4009465

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 129
First Page: 159
Last Page: 174
DOI: 10.1016/j.ejmech.2017.02.016

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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	>	80	%

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325816

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: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
0.49	Ks	=	0.49	uM
0.14	Ks	=	0.14	uM
0.34	Ks	=	0.34	uM

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

来源：ChEMBL 靶标：Cytochrome P450 1B1

External ID: CHEMBL5325817

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 1
First Page: 398
Last Page: 412
DOI: 10.1021/acs.jmedchem.2c01368

Target ChEMBL ID: CHEMBL4878
ChEMBL Target Name: Cytochrome P450 1B1
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
deltaA	=	0.22
deltaA	=	0.06
deltaA	=	0.37

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: CHEMBL3603199

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 16
First Page: 6481
Last Page: 6493
DOI: 10.1021/acs.jmedchem.5b00494

Standard Type	Standard Relation	Standard Value
Ratio Ki	=	0.8
Ratio Ki	=	6.5
Ratio Ki	>	2.9
Ratio Ki	=	5.3

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

来源：ChEMBL 靶标：Fibroblast

External ID: CHEMBL4725213

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5314315
ChEMBL Target Name: Fibroblast
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value
Growth Rate	=	-0.32
Growth Rate	=	-0.85
Growth Rate	=	0.66
Growth Rate	=	0.58
Growth Rate	=	0.86
Growth Rate	=	0.06
Growth Rate	=	0.1
Growth Rate	=	0.63
Growth Rate	=	0.67
Growth Rate	=	0.46
Growth Rate	=	0.87
Growth Rate	=	0
Growth Rate	=	0.46
Growth Rate	=	0.87
Growth Rate	=	-0.42
Growth Rate	=	-0.57
Growth Rate	=	-0.81
Growth Rate	=	0.2
Growth Rate	=	0.77
Growth Rate	=	0.4

604-59-1 靶点实验数据