Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50379264'   

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))	BDBM50379264 (CHEMBL3216777) Show SMILES Cl.Cl.Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5CCCCc5nc5ccccc45)c3[C@]([H])(CC(C)=C1)C2 |r,c:46| Show InChI InChI=1S/C39H47ClN4/c1-26-21-27-23-28(22-26)37-36(24-27)44-35-25-29(40)17-18-32(35)39(37)42-20-12-6-4-2-3-5-11-19-41-38-30-13-7-9-15-33(30)43-34-16-10-8-14-31(34)38/h7,9,13,15,17-18,21,25,27-28H,2-6,8,10-12,14,16,19-20,22-24H2,1H3,(H,41,43)(H,42,44)	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	133	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins b...				J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH
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