BDBM50061185 (10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL113448

SMILES: C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1

InChI Key: InChIKey=COZCGUYKODBSPO-OWFQWTQZSA-N

Data: 2 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 2 hits for monomerid = 50061185   

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 (Rattus norvegicus (Rat))	BDBM50061185 ((10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1 |c:21,t:8| Show InChI InChI=1S/C22H28N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h6,9,12-13,16-18H,3-5,7-8,10-11H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rat testicular microsomal Cytochrome P450 17A1				J Med Chem 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50061185 ((10R,13S)-10,13-Dimethyl-17-(1H-pyrazol-3-yl)-1,2,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1ccn[nH]1 |c:21,t:8| Show InChI InChI=1S/C22H28N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h6,9,12-13,16-18H,3-5,7-8,10-11H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair