Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50020644'   

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))	BDBM50020644 (1,2,4b-Trimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-de...) Show SMILES COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1C |c:16,t:12| Show InChI InChI=1S/C19H26O3/c1-12-15-6-5-13-11-14(20)7-9-19(13,3)16(15)8-10-18(12,2)17(21)22-4/h7,9,11-12,15-16H,5-6,8,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+5	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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