Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50213239'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50213239 (7-Hydroxy-2-[4'-methoxy-3'-(3-methylbut-2-enyl)phe...) Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-14-10-15(6-9-19(14)24-3)20-12-18(23)17-8-7-16(22)11-21(17)25-20/h4,6-11,20,22H,5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase				J Med Chem 50: 2799-806 (2007) Article DOI: 10.1021/jm070109i BindingDB Entry DOI: 10.7270/Q2668F0Z
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