Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50509710'   

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))	BDBM50509710 (CHEMBL4447258) Show SMILES Cl.[O-][N+](=O)c1cccc(c1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H25N7O3/c37-36(38)23-7-5-6-22(16-23)35-18-21(32-34-35)19-39-24-14-12-20(13-15-24)17-30-33-29-25-8-1-3-10-27(25)31-28-11-4-2-9-26(28)29/h1,3,5-8,10,12-18H,2,4,9,11,19H2,(H,31,33)/b30-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	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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