BDBM50014309 7-(4-Iodo-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL319961

SMILES: C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(I)cc1

InChI Key: InChIKey=VEUHCSMDWHNLGC-QGICKFDUSA-N

Data: 1 KI

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 = 50014309   

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 19A1 (Homo sapiens (Human))	BDBM50014309 (7-(4-Iodo-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,9...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(I)cc1 |t:15| Show InChI InChI=1S/C25H29IO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair