ChEMBL ligand: CHEMBL254328 (Abiraterone, CB 7598, CB-7598, NSC-741232, Zytiga)
CYP11B1/Cytochrome P450 11B1 in Human [ChEMBL: CHEMBL1908] [GtoPdb: 1359] [UniProtKB: P15538] There should be some charts here, you may need to enable JavaScript!
CYP11B2/Cytochrome P450 11B2 in Human [ChEMBL: CHEMBL2722] [GtoPdb: 1360] [UniProtKB: P19099] There should be some charts here, you may need to enable JavaScript!
CYP17A1/Cytochrome P450 17A1 in Human [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093] CYP17A1/Cytochrome P450 17A1 in Rat [ChEMBL: CHEMBL4430] [GtoPdb: 1361] [UniProtKB: P11715] There should be some charts here, you may need to enable JavaScript!
CYP19A1/Cytochrome P450 19A1 in Human [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] There should be some charts here, you may need to enable JavaScript!
CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
CYP11B1/Cytochrome P450 11B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1908] [GtoPdb: 1359] [UniProtKB: P15538]
ChEMBL	Inhibition of human CYP11B1 expressed in hamster V79MZh cells	B	5.79	pIC50	1610	nM	IC50	J Med Chem (2010) 53: 5049-5053 [PMID:20550118]
ChEMBL	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate	B	5.79	pIC50	1610	nM	IC50	J Med Chem (2013) 56: 6101-6107 [PMID:23859149]
ChEMBL	Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells	B	5.79	pIC50	1608	nM	IC50	J Med Chem (2008) 51: 5009-5018 [PMID:18672868]
ChEMBL	Inhibition of recombinant CYP11B1 expressed in expressed in V79MZh11B1 cells	B	5.79	pIC50	1608	nM	IC50	Eur J Med Chem (2009) 44: 2765-2775 [PMID:19211174]
CYP11B2/Cytochrome P450 11B2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2722] [GtoPdb: 1360] [UniProtKB: P19099]
ChEMBL	Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells	B	5.76	pIC50	1751	nM	IC50	J Med Chem (2008) 51: 5009-5018 [PMID:18672868]
ChEMBL	Inhibition of human CYP11B2 expressed in hamster V79MZh cells	B	5.76	pIC50	1750	nM	IC50	J Med Chem (2010) 53: 5049-5053 [PMID:20550118]
ChEMBL	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate	B	5.76	pIC50	1750	nM	IC50	J Med Chem (2013) 56: 6101-6107 [PMID:23859149]
CYP17A1/Cytochrome P450 17A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli	B	6.1	pIC50	800	nM	IC50	J Med Chem (2015) 58: 2077-2087 [PMID:25591066]
ChEMBL	In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escherichia coli or P450c17-LNCaP cells as the enzyme source.	B	6.1	pIC50	800	nM	IC50	J Med Chem (2003) 46: 2345-2351 [PMID:12773039]
ChEMBL	In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli	B	6.1	pIC50	800	nM	IC50	J Med Chem (2005) 48: 2972-2984 [PMID:15828836]
ChEMBL	Inhibition of human membrane bound C-terminal His4-tagged CYP17A1 delta19H mutant assessed as reduction in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of NADPH-cytochrome p450 reductase by HPLC method	B	6.89	pIC50	130	nM	IC50	US-20160031929-A1. Inhibitors of cyp17a1 (null)
ChEMBL	Inhibition of human recombinant CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase	B	7.14	pIC50	72	nM	IC50	J Med Chem (2008) 51: 5009-5018 [PMID:18672868]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase	B	7.14	pIC50	72	nM	IC50	Bioorg Med Chem (2008) 16: 7715-7727 [PMID:18674917]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase	B	7.14	pIC50	72	nM	IC50	Eur J Med Chem (2009) 44: 2765-2775 [PMID:19211174]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase	B	7.14	pIC50	72	nM	IC50	J Med Chem (2010) 53: 5049-5053 [PMID:20550118]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli	B	7.14	pIC50	72	nM	IC50	J Med Chem (2010) 53: 5749-5758 [PMID:20684610]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate	B	7.14	pIC50	72	nM	IC50	J Med Chem (2013) 56: 1723-1729 [PMID:23363058]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate	B	7.14	pIC50	72	nM	IC50	J Med Chem (2012) 55: 6629-6633 [PMID:22788843]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH	B	7.14	pIC50	72	nM	IC50	J Med Chem (2013) 56: 6101-6107 [PMID:23859149]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli	B	7.14	pIC50	72	nM	IC50	Bioorg Med Chem Lett (2008) 18: 267-273 [PMID:18024111]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase	B	7.14	pIC50	72	nM	IC50	Bioorg Med Chem (2008) 16: 1992-2010 [PMID:18061460]
GtoPdb	-	-	7.3	pIC50	-	-	-	J Med Chem (1995) 38: 2463-71 [PMID:7608911]; J Steroid Biochem Mol Biol (2003) 84: 555-62 [PMID:12767280]
ChEMBL	Inhibition of CYP17 (unknown origin)	B	7.32	pIC50	48	nM	IC50	ACS Med Chem Lett (2016) 7: 708-713 [PMID:27437082]
ChEMBL	Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mins followed by substrate and cofactor addition after 60 mins by LC/MS analysis	B	7.45	pIC50	35.8	nM	IC50	Eur J Med Chem (2017) 132: 157-172 [PMID:28350999]
ChEMBL	Inhibitory Activity Assay: The inhibition of CYP17A1 by the test compounds was evaluated using a recombinant enzyme. Human CYP17A1 was expressed in E. coli (Ehmer, P. B. et al.; J. Steroid Biochem. Mol. Biol., 75, 57-63 (2000)). The microsomal fraction and 140 μL of phosphate buffer (50 mM Na phosphate, 1 mM MgCl2, 0.1 mM EDTA, 0.1 mM dithiothreitol, pH 7.4) were preincubated separately with a mixture of progesterone (24.95 μM) and 3H-progesterone (0.05 μM, 101.3 Ci/mmol), 50 μM of an NADPH regeneration system (in phosphate buffer with 10 mM NADP+, 100 mM glucose 6-phosphate and 2.5 U of glucose 6-phosphate dehydrogenase) and the appropriate test substances (in 5 μl of DMSO) at 37° C. for 5 minutes. The reaction was started by addition of the enzyme and, after 30 minutes of incubation at 37° C., stopped by addition of 50 μl of 1N hydrochloric acid.The steroids were extracted with ethyl acetate. After evaporation of the organic phase, the steroids were taken up in acetonitrile.	B	7.54	pIC50	29	nM	IC50	US-9487554-B2. Estra-1,3,5(10),16-tetraene-3-carboxamide derivatives, processes for their preparation, pharmaceutical preparations comprising them and their use for preparing medicaments (2016)
ChEMBL	Inhibition of CYP17 in human H295R cells assessed as decrease in testosterone levels after 24 hrs by ELISA	B	7.82	pIC50	<=15	nM	IC50	EP-2660241-A2. C-17-heteroaryl steroidal compounds as inhibitors of CYP11B, CYP17, and/or CYP21 (2013)
ChEMBL	Inhibition of CYP17 in human testicular microsomes using 17alpha-hydroxypregnenolone as substrate assessed as decrease in DHEA levels after 90 mins by ELISA	B	7.96	pIC50	<=11	nM	IC50	EP-2660241-A2. C-17-heteroaryl steroidal compounds as inhibitors of CYP11B, CYP17, and/or CYP21 (2013)
ChEMBL	Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli JM109 cells assessed as decrease in progesterone hydroxylation in presence of cytochrome P450 reductase by HPLC-UV method	B	8.03	pIC50	9.4	nM	IC50	J Med Chem (2018) 61: 4946-4960 [PMID:29792703]
ChEMBL	Irreversible inhibition of human cytochrome P450 17alpha	B	8.3	pIC50	5	nM	IC50	Medchemcomm (2011) 2: 1135-1161
ChEMBL	Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of cytochrome p450 reductase by LC-MS/MS method	B	8.31	pIC50	4.94	nM	IC50	J Med Chem (2018) 61: 4946-4960 [PMID:29792703]
ChEMBL	Inhibition of human progesterone 17-alpha-hydroxylase.	B	8.4	pIC50	4	nM	IC50	J Med Chem (1998) 41: 5375-5381 [PMID:9876107]
ChEMBL	Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.	B	8.4	pIC50	4	nM	IC50	J Med Chem (1995) 38: 2463-2471 [PMID:7608911]
ChEMBL	Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.	B	8.54	pIC50	2.9	nM	IC50	J Med Chem (1995) 38: 2463-2471 [PMID:7608911]
ChEMBL	Inhibition of human Steroid 17-alpha-hydroxylase/17,20 lyase	B	9	pIC50	~1	nM	IC50	Bioorg Med Chem Lett (1995) 5: 1125-1130
CYP17A1/Cytochrome P450 17A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4430] [GtoPdb: 1361] [UniProtKB: P11715]
ChEMBL	Inhibition of Sprague-Dawley rat testicular CYP17	B	6.66	pIC50	220	nM	IC50	Bioorg Med Chem (2008) 16: 1992-2010 [PMID:18061460]
ChEMBL	Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mins followed by substrate and cofactor addition after 60 mins by LC/Ms analysis	B	7.61	pIC50	24.7	nM	IC50	Eur J Med Chem (2017) 132: 157-172 [PMID:28350999]
ChEMBL	Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins	B	7.9	pIC50	12.5	nM	IC50	Eur J Med Chem (2013) 70: 649-660 [PMID:24211641]
ChEMBL	Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in presence of NADPH	B	7.9	pIC50	12.5	nM	IC50	Eur J Med Chem (2016) 120: 284-295 [PMID:27209562]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL	Inhibition of CYP19 in human placental microsomes	B	4.3	pIC50	>50000	nM	IC50	J Med Chem (2010) 53: 5049-5053 [PMID:20550118]
ChEMBL	Inhibition of Cytochrome P450 19A1	B	4.7	pIC50	>20000	nM	IC50	J Med Chem (1995) 38: 2463-2471 [PMID:7608911]
ChEMBL	Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-method	B	5.3	pIC50	>5000	nM	IC50	J Med Chem (2013) 56: 1723-1729 [PMID:23363058]
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL	Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes	B	5.57	pIC50	2700	nM	IC50	J Med Chem (2010) 53: 5049-5053 [PMID:20550118]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]