BDBM50072798 (3S,5S,10S,13S,17S)-10,13-Dimethyl-17-pyridin-3-yl-hexadecahydro-cyclopenta[a]phenanthren-3-ol::CHEMBL3137965

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)c1cccnc1

InChI Key: InChIKey=KSNHBAFYACINHV-NQQYONMLSA-N

Data: 1 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 1 hit for monomerid = 50072798   

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))	BDBM50072798 ((3S,5S,10S,13S,17S)-10,13-Dimethyl-17-pyridin-3-yl...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)c1cccnc1 Show InChI InChI=1S/C24H35NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,13,15,17-22,26H,5-12,14H2,1-2H3/t17-,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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
					More data for this Ligand-Target Pair