Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM152474'   

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))	BDBM152474 (1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl...) Show SMILES COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(C)cc4)n3)c(=O)oc12 Show InChI InChI=1S/C21H17N3O3S2/c1-12-6-8-14(9-7-12)22-20(28)24-21-23-16(11-29-21)15-10-13-4-3-5-17(26-2)18(13)27-19(15)25/h3-11H,1-2H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+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
					More data for this Ligand-Target Pair