Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50275237'   

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))	BDBM50275237 (CHEMBL4126881) Show SMILES Oc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cc2ccccc2o1 |c:10| Show InChI InChI=1S/C23H17NO2S/c25-17-11-9-15(10-12-17)23-14-19(24-18-6-2-4-8-22(18)27-23)21-13-16-5-1-3-7-20(16)26-21/h1-13,23,25H,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition measured for 6 min...				Bioorg Med Chem 26: 3076-3095 (2018) Article DOI: 10.1016/j.bmc.2018.02.049 BindingDB Entry DOI: 10.7270/Q2SF2ZPJ
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