Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50023605'   

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))	BDBM50023605 (CHEMBL3355581) Show SMILES COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)cc(CN(C)C)c1O |c:24| Show InChI InChI=1S/C39H42ClN3O3/c1-24-15-28-18-29(16-24)37-35(19-28)42-34-21-31(40)11-14-33(34)38(37)41-22-26-7-5-25(6-8-26)9-12-32(44)13-10-27-17-30(23-43(2)3)39(45)36(20-27)46-4/h5-9,11-12,14,16-17,20-21,28-29,45H,10,13,15,18-19,22-23H2,1-4H3,(H,41,42)/b12-9+	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	181	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 preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
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