Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM170152'   

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))	BDBM170152 (10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...) Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1 Show InChI InChI=1S/C25H17ClN6O2/c26-17-11-9-16(10-12-17)25-27-23(34-29-25)15-31-13-18(28-30-31)14-32-21-7-3-1-5-19(21)24(33)20-6-2-4-8-22(20)32/h1-13H,14-15H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.89E+4	n/a	n/a	n/a	n/a	8.0	25
Tehran University of Medical Sciences					Assay Description To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...				Chem Biol Drug Des 86: 1425-32 (2015) Article DOI: 10.1111/cbdd.12609 BindingDB Entry DOI: 10.7270/Q2SN07QM
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