Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50011759'   

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))	BDBM50011759 (1-(4-Amino-phenyl)-3-decyl-3-aza-bicyclo[3.1.1]hep...) Show SMILES CCCCCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-5.11,-16.64,;-3.78,-15.87,;-3.78,-14.33,;-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/C22H32N2O2/c1-2-3-4-5-6-7-8-9-14-24-20(25)17-15-22(16-17,21(24)26)18-10-12-19(23)13-11-18/h10-13,17H,2-9,14-16,23H2,1H3	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	225	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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