BDBM50009442 Acetic acid 10-acetoxymethyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester::CHEMBL311077

SMILES: CC(=O)OCC12CCCC=C1CCC1C3CCC(OC(C)=O)C3(C)CCC21

InChI Key: InChIKey=MEHJFIPYSWVCTE-UHFFFAOYSA-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 = 50009442   

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))	BDBM50009442 (Acetic acid 10-acetoxymethyl-13-methyl-2,3,6,7,8,9...) Show SMILES CC(=O)OCC12CCCC=C1CCC1C3CCC(OC(C)=O)C3(C)CCC21 |c:9| Show InChI InChI=1S/C23H34O4/c1-15(24)26-14-23-12-5-4-6-17(23)7-8-18-19-9-10-21(27-16(2)25)22(19,3)13-11-20(18)23/h6,18-21H,4-5,7-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair