Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50020646'   

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))	BDBM50020646 (1,2,4b-Trimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-de...) Show SMILES CC1C2CCC3=CC(=O)C=CC3(C)C2CCC1(C)C(O)=O |c:9,t:5| Show InChI InChI=1S/C18H24O3/c1-11-14-5-4-12-10-13(19)6-8-18(12,3)15(14)7-9-17(11,2)16(20)21/h6,8,10-11,14-15H,4-5,7,9H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
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