Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM23066'   

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))	BDBM23066 (7-(4-methanesulfonylphenyl)-1-[5-(pyridin-2-yl)-1,...) Show SMILES CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H24N2O4S/c1-29(26,27)18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(28-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3	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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