BindingDB PrimarySearch

BDBM25458 (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol::ABT::Abiraterone::CB 7598::CHEMBL254328::US9487554, Abiraterone::US9611270, Example 5, abiraterone

SMILES: [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

InChI Key: InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N

Data: 47 IC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 25458
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of CYP17 (unknown origin)				ACS Med Chem Lett 7: 708-13 (2016) Article DOI: 10.1021/acsmedchemlett.6b00137
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
Saarland University					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
Saarland University					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
Saarland University					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
Saarland University					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description 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....				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 58: 2077-87 (2015) Article DOI: 10.1021/jm501239f BindingDB Entry DOI: 10.7270/Q2MS3VFF
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				Bioorg Med Chem Lett 18: 267-73 (2008) Article DOI: 10.1016/j.bmcl.2007.10.079 BindingDB Entry DOI: 10.7270/Q2833RSP
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant CYP11B1 expressed in expressed in V79MZh11B1 cells				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsome				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human progesterone 17-alpha-hydroxylase.				J Med Chem 41: 5375-81 (1999) Article DOI: 10.1021/jm981017j BindingDB Entry DOI: 10.7270/Q21C1XKW
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
Accelrys Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat testicular CYP17				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...				Eur J Med Chem 120: 284-95 (2016) Article DOI: 10.1016/j.ejmech.2016.05.006 BindingDB Entry DOI: 10.7270/Q26Q2065
University of Szeged Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins				Eur J Med Chem 70: 649-60 (2013) Article DOI: 10.1016/j.ejmech.2013.10.038 BindingDB Entry DOI: 10.7270/Q2C24XVM
University of Szeged Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-method				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.				J Med Chem 38: 2463-71 (1995) BindingDB Entry DOI: 10.7270/Q20K27KR
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
Saarland University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF KANSAS US Patent					Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...				US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ
UNIVERSITY OF KANSAS US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 21A2 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF KANSAS US Patent					Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...				US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ
UNIVERSITY OF KANSAS US Patent					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human hepatic CYP3A4				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 21 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesteron...				J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progester...				J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli JM109 cells assessed as decrease in proges...				J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human CYP3A4 assessed as decrease in metabolism of luciferin isopropyl alcohol preincubated for 3 min...				J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 6101-7 (2013) Article DOI: 10.1021/jm400484p BindingDB Entry DOI: 10.7270/Q2CJ8FX2
					More data for this Ligand-Target Pair