Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50011758'   

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))	BDBM50011758 (1-(4-Amino-phenyl)-3-(4-methoxy-benzyl)-3-aza-bicy...) Show SMILES COc1ccc(CN2C(=O)C3CC(C3)(C2=O)c2ccc(N)cc2)cc1 |(-5.12,-8.95,;-3.78,-9.72,;-2.44,-8.93,;-2.44,-7.39,;-1.11,-6.62,;.22,-7.41,;1.55,-6.64,;1.55,-5.1,;.23,-4.33,;-1.11,-5.1,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.21,-5.1,;4.21,-2.02,;5.54,-2.8,;6.89,-2.04,;6.9,-.5,;8.23,.27,;5.54,.28,;4.2,-.47,;.23,-8.93,;-1.1,-9.7,)| Show InChI InChI=1S/C20H20N2O3/c1-25-17-8-2-13(3-9-17)12-22-18(23)14-10-20(11-14,19(22)24)15-4-6-16(21)7-5-15/h2-9,14H,10-12,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
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