Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50277651'   

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))	BDBM50277651 (CHEMBL4174514) Show SMILES COc1cc2CC(CC3CCN(Cc4cc(Cl)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H29ClN2O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,13-15,17,19H,7-12,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 m...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
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