Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50213242'   

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))	BDBM50213242 (1-(2-hydroxy-4-methoxyphenyl)-3-[3-(3-methylbut-2-...) Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1 Show InChI InChI=1S/C21H22O3/c1-15(2)7-8-16-5-4-6-17(13-16)9-12-20(22)19-11-10-18(24-3)14-21(19)23/h4-7,9-14,23H,8H2,1-3H3/b12-9+	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	>3.10E+5	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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