Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM23068'   

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))	BDBM23068 (7-(3-hexylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES CCCCCCc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C27H34N2O2/c1-2-3-4-7-13-22-15-12-16-23(20-22)14-8-5-6-9-18-25(30)27-29-21-26(31-27)24-17-10-11-19-28-24/h10-12,15-17,19-21H,2-9,13-14,18H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	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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