Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM170160'   

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))	BDBM170160 (10-((1-((3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)m...) Show SMILES COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C26H19ClN6O3/c1-35-19-10-11-23-21(12-19)25(34)20-4-2-3-5-22(20)33(23)14-18-13-32(31-29-18)15-24-28-26(30-36-24)16-6-8-17(27)9-7-16/h2-13H,14-15H2,1H3	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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