ChEMBL ligand: CHEMBL2105738 (Galeterona, Galeterone, TOK 001, TOK-001, VN 124, VN-124, VN/124, VN/124-1)
Androgen receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] There should be some charts here, you may need to enable JavaScript!
CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Human [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093] 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
Androgen receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL	Antagonist activity at DHT-induced Androgen receptor transcriptional activity in human HEK293 cells measured after 24 hrs by Steady-Glo reagent based assay	B	5.96	pIC50	1108	nM	IC50	J Med Chem (2022) 65: 12460-12481 [PMID:36070471]
GtoPdb	-	-	6.42	pIC50	384	nM	IC50	J Med Chem (2005) 48: 2972-84 [PMID:15828836]
ChEMBL	Induction of androgen receptor degradation in human LNCaP cells incubated for 24 hrs by ELISA	B	4.84	pEC50	14400	nM	EC50	J Med Chem (2023) 66: 9972-9991 [PMID:37458396]
ChEMBL	Induction of degradation of full length Androgen receptor (unknown origin)	B	4.98	pEC50	10410	nM	EC50	J Med Chem (2022) 65: 16128-16154 [PMID:36459083]
ChEMBL	Displacement of [3H]R1881 from androgen receptor in human LNCAP cells	B	6.07	pEC50	845	nM	EC50	J Med Chem (2015) 58: 2077-2087 [PMID:25591066]
ChEMBL	Displacement of [3H]R1881 from AR in human LNCaP cells after 2 hrs by scintillation counting analysis	B	6.17	pEC50	670	nM	EC50	J Med Chem (2013) 56: 4880-4898 [PMID:23713567]
ChEMBL	Displacement of [3H]R1881 from androgen receptor in human PC3 cells	B	6.39	pEC50	405	nM	EC50	J Med Chem (2015) 58: 2077-2087 [PMID:25591066]
CYP17A1/Steroid 17-alpha-hydroxylase/17,20 lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093]
ChEMBL	Inhibition of human truncated CYP17A1 expressed in Escherichia coli	B	6.12	pIC50	752	nM	IC50	J Med Chem (2013) 56: 4880-4898 [PMID:23713567]
GtoPdb	-	-	6.52	pIC50	300	nM	IC50	J Med Chem (2005) 48: 2972-84 [PMID:15828836]
ChEMBL	Inhibition of human CYP17 expressed in Escherichia coli	B	6.52	pIC50	300	nM	IC50	J Med Chem (2015) 58: 2077-2087 [PMID:25591066]
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	6.55	pIC50	282	nM	IC50	US-20160031929-A1. Inhibitors of cyp17a1 (2016)
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	6.55	pIC50	282	nM	IC50	US-9611270-B2. Inhibitors of CYP17A1 (2017)
ChEMBL	Inhibition of CYP17 (unknown origin)	B	6.85	pIC50	140	nM	IC50	ACS Med Chem Lett (2016) 7: 708-713 [PMID:27437082]
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	7.55	pIC50	28.1	nM	IC50	J Med Chem (2018) 61: 4946-4960 [PMID:29792703]
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	6.61	pIC50	248	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]