Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50020641'   

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))	BDBM50020641 (Acetic acid 2,4b-dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,...) Show SMILES CC(=O)OCC1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:17,t:13| Show InChI InChI=1S/C19H26O3/c1-13(20)22-12-18(2)8-7-17-14(11-18)4-5-15-10-16(21)6-9-19(15,17)3/h6,9-10,14,17H,4-5,7-8,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	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 aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
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