Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50523371'   

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))	BDBM50523371 (CHEMBL4456435) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C32H41N5O.2ClH/c33-27(21-23-22-36-28-16-8-5-13-24(23)28)32(38)35-20-12-4-2-1-3-11-19-34-31-25-14-6-9-17-29(25)37-30-18-10-7-15-26(30)31;;/h5-6,8-9,13-14,16-17,22,27,36H,1-4,7,10-12,15,18-21,33H2,(H,34,37)(H,35,38);2*1H/t27-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 BindingDB Entry DOI: 10.7270/Q2RV0S3X
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