BDBM50009436 Acetic acid 13-methyl-17-oxo-1,2,3,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-10-ylmethyl ester::CHEMBL309656

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

InChI Key: InChIKey=QLZOSNWYWZNEJT-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50009436   

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))	BDBM50009436 (Acetic acid 13-methyl-17-oxo-1,2,3,6,7,8,9,11,12,1...) Show SMILES CC(=O)OCC12CCCC=C1CCC1C3CCC(=O)C3(C)CCC21 |c:9| Show InChI InChI=1S/C21H30O3/c1-14(22)24-13-21-11-4-3-5-15(21)6-7-16-17-8-9-19(23)20(17,2)12-10-18(16)21/h5,16-18H,3-4,6-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50009436 (Acetic acid 13-methyl-17-oxo-1,2,3,6,7,8,9,11,12,1...) Show SMILES CC(=O)OCC12CCCC=C1CCC1C3CCC(=O)C3(C)CCC21 |c:9| Show InChI InChI=1S/C21H30O3/c1-14(22)24-13-21-11-4-3-5-15(21)6-7-16-17-8-9-19(23)20(17,2)12-10-18(16)21/h5,16-18H,3-4,6-13H2,1-2H3	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	4.00E+3	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