Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50442333'   

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))	BDBM50442333 (CHEMBL2442770) Show SMILES CCOC(=O)c1cc(C)nc2c3cc[nH]c3ccc12 Show InChI InChI=1S/C15H14N2O2/c1-3-19-15(18)12-8-9(2)17-14-10(12)4-5-13-11(14)6-7-16-13/h4-8,16H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
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