Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50442324'   

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))	BDBM50442324 (CHEMBL2442757) Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3	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	454	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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