Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50306336'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50306336 (4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-p...) Show SMILES Cc1ccc(C)c(c1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H28N2O2/c1-17-11-12-18(2)20(15-17)22(26)16-21(25-13-7-4-8-14-25)23(27)24-19-9-5-3-6-10-19/h3,5-6,9-12,15,21H,4,7-8,13-14,16H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Ellman's method				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
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