Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50011765'   

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))	BDBM50011765 (1-(4-Amino-phenyl)-3-heptyl-3-aza-bicyclo[3.1.1]he...) Show SMILES CCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)| Show InChI InChI=1S/C19H26N2O2/c1-2-3-4-5-6-11-21-17(22)14-12-19(13-14,18(21)23)15-7-9-16(20)10-8-15/h7-10,14H,2-6,11-13,20H2,1H3	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	49	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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