Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50245715'   

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))	BDBM50245715 (CHEMBL4072478) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30| Show InChI InChI=1S/C32H46N4OS/c1-37-25-11-12-29-27(18-25)30(26-9-5-6-10-28(26)35-29)33-13-7-3-2-4-8-14-34-31(38)36-32-19-22-15-23(20-32)17-24(16-22)21-32/h11-12,18,22-24H,2-10,13-17,19-21H2,1H3,(H,33,35)(H2,34,36,38)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin)				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
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