Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50275236'   

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))	BDBM50275236 (CHEMBL4127914) Show SMILES [O-][N+](=O)c1ccc2oc(cc2c1)C1=Nc2ccccc2SC(C1)c1c[nH]c2ccccc12 |t:14| Show InChI InChI=1S/C25H17N3O3S/c29-28(30)16-9-10-22-15(11-16)12-23(31-22)21-13-25(32-24-8-4-3-7-20(24)27-21)18-14-26-19-6-2-1-5-17(18)19/h1-12,14,25-26H,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+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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