Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM170158'   

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))	BDBM170158 (2-Methoxy-10-((1-((3-(p-tolyl)-1,2,4-oxadiazol-5-y...) Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(C)cc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C27H22N6O3/c1-17-7-9-18(10-8-17)27-28-25(36-30-27)16-32-14-19(29-31-32)15-33-23-6-4-3-5-21(23)26(34)22-13-20(35-2)11-12-24(22)33/h3-14H,15-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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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