BDBM50063478 (10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL307729

SMILES: C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1

InChI Key: InChIKey=OPPZNEHAUJDDQH-CEJNIXRPSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50063478   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50063478 ((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:8| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)				J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50063478 ((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:8| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50063478 ((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:8| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rat Cytochrome P450 17A1				J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50063478 ((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1 |c:21,t:8| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1				J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N
					More data for this Ligand-Target Pair