ChEMBL ligand: CHEMBL1921976 (Orteronel, TAK-700)
CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Human [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093] CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Rat [ChEMBL: CHEMBL4430] [GtoPdb: 1361] [UniProtKB: P11715] There should be some charts here, you may need to enable JavaScript!
CYP21A2/Steroid 21-hydroxylase in Human [ChEMBL: CHEMBL2759] [GtoPdb: 1364] [UniProtKB: P08686] 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
CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093]
ChEMBL	Binding affinity human CYP17A1	B	7.4	pKd	40	nM	Kd	J Med Chem (2020) 63: 6513-6522 [PMID:32223238]
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	5.33	pIC50	4730	nM	IC50	US-20160031929-A1. Inhibitors of cyp17a1 (2016)
ChEMBL	Inhibition of human CYP17A1	B	6.57	pIC50	270	nM	IC50	J Med Chem (2020) 63: 6513-6522 [PMID:32223238]
GtoPdb	Measuring inhibition of Inhibition of 17,20-lyase activity of recombinant hCYP17A1	-	7.72	pIC50	19	nM	IC50	Bioorg Med Chem (2011) 19: 6383-99 [PMID:21978946]
ChEMBL	Inhibition of 17,20-lyase of recombinant human CYP17A1 using [1,2-3H]-17a-hydroxypregnenolone as substrate after 15 mins by TLC analysis	B	7.72	pIC50	19	nM	IC50	Bioorg Med Chem (2011) 19: 6383-6399 [PMID:21978946]
ChEMBL	Enzyme Activity Assay: Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for both CYP17A1 and CYP21A2, and was the substrate studied for enzyme activity, IC50 determinations, and selectivity comparison. Two methods for detecting enzymatic activity were utilized. Analytical High Pressure Liquid Chromatography (HPLC) for biochemical assays was performed on a Prominence HPLC system (Shimadzu Scientific Instruments, Inc., Columbia, Md.) equipped with a C18 reverse phase 100 mm Luna Column (Phenomenex, Torrance, Calif.). The mobile phase consisted of 40% acetonitrile, 59% water, and 1% acetic acid with a 1 mL/min flow rate at 40° C. An injection volume of 32 μL (CYP17A1) or 45 μL (CYP21A2) was used. The presence of the CYP17A1 product 17α-hydroxyprogesterone was detected with an absorption wavelength of 248 nm as reported by Devore, N. M.; Scott, E. E. Structure and function of human cytochromes P450 enzymes: Xenobiotic metabolism by CYP2A and steroid biosynthesis by CYP17A1. University of Kansas, Lawrence, K S, 2011. The presence of the CYP21A2 product 21-hydroxyprogesterone was detected with an absorption wavelength of 248 nm.	B	8.4	pIC50	4	nM	IC50	US-9611270-B2. Inhibitors of CYP17A1 (2017)
CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4430] [GtoPdb: 1361] [UniProtKB: P11715]
ChEMBL	Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 mins by TLC analysis	B	7.32	pIC50	48	nM	IC50	Bioorg Med Chem (2011) 19: 6383-6399 [PMID:21978946]
CYP21A2/Steroid 21-hydroxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2759] [GtoPdb: 1364] [UniProtKB: P08686]
ChEMBL	Enzyme Activity Assay: Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for both CYP17A1 and CYP21A2, and was the substrate studied for enzyme activity, IC50 determinations, and selectivity comparison. Two methods for detecting enzymatic activity were utilized. Analytical High Pressure Liquid Chromatography (HPLC) for biochemical assays was performed on a Prominence HPLC system (Shimadzu Scientific Instruments, Inc., Columbia, Md.) equipped with a C18 reverse phase 100 mm Luna Column (Phenomenex, Torrance, Calif.). The mobile phase consisted of 40% acetonitrile, 59% water, and 1% acetic acid with a 1 mL/min flow rate at 40° C. An injection volume of 32 μL (CYP17A1) or 45 μL (CYP21A2) was used. The presence of the CYP17A1 product 17α-hydroxyprogesterone was detected with an absorption wavelength of 248 nm as reported by Devore, N. M.; Scott, E. E. Structure and function of human cytochromes P450 enzymes: Xenobiotic metabolism by CYP2A and steroid biosynthesis by CYP17A1. University of Kansas, Lawrence, K S, 2011. The presence of the CYP21A2 product 21-hydroxyprogesterone was detected with an absorption wavelength of 248 nm.	B	8.4	pIC50	4	nM	IC50	US-9611270-B2. Inhibitors of CYP17A1 (2017)

ChEMBL data shown on this page come from version 36:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]