Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50509716'   

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 (Homo sapiens (Human))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012 BindingDB Entry DOI: 10.7270/Q2V69NVX
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