Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50228385'   

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))	BDBM50228385 (CHEMBL235014 | N-(2-(2-(2-(5,6,7,8-tetrahydroacrid...) Show SMILES C(COCCOCCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4O2/c1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)35-27)33-17-19-37-21-22-38-20-18-34-32-25-11-3-7-15-29(25)36-30-16-8-4-12-26(30)32/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-22H2,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.1	n/a	n/a	n/a	n/a	n/a	n/a
Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum recombinant BChE by Ellman's method				J Med Chem 50: 6446-9 (2007) Article DOI: 10.1021/jm701225u BindingDB Entry DOI: 10.7270/Q2FN15Z6
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