Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM23071'   

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
Carboxylic ester hydrolase (Homo sapiens (Human))	BDBM23071 (3-[3-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-11-4-5-14-25-21)13-12-18-9-6-10-20(15-18)28-17-19-7-2-1-3-8-19/h1-11,14-16H,12-13,17H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
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