Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM23054'   

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))	BDBM23054 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluo...) Show SMILES FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-12-10-16(11-13-17)7-3-1-2-4-9-19(28)21-27-15-20(29-21)18-8-5-6-14-26-18/h5-6,8,10-15H,1-4,7,9H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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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