Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM152458'   

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 (Equus caballus (Horse))	BDBM152458 (1-(4-Fluorophenyl)-3-(4-(8-methoxy-2-oxo-2H-chrome...) Show SMILES COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(F)cc4)n3)c(=O)oc12 Show InChI InChI=1S/C20H14FN3O4S/c1-27-16-4-2-3-11-9-14(18(25)28-17(11)16)15-10-29-20(23-15)24-19(26)22-13-7-5-12(21)6-8-13/h2-10H,1H3,(H2,22,23,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	8.0	n/a
Bezmialem Vakif University					Assay Description The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...				Bioorg Chem 59: 80-90 (2015) Article DOI: 10.1016/j.bioorg.2015.02.002 BindingDB Entry DOI: 10.7270/Q2668BXT
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