Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50443697'   

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))	BDBM50443697 (CHEMBL3093841) Show SMILES CCN(CC)CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H44N2O3/c1-5-33(6-2)21-13-11-9-7-8-10-12-14-22-35-27-19-20-28-29(34)24-30(36-31(28)23-27)25-15-17-26(18-16-25)32(3)4/h15-20,23-24H,5-14,21-22H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
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