Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50028691'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028691 (CHEMBL3356951) Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H21Cl2N3O2/c26-14-9-10-18-20(13-14)30-19-8-4-3-7-17(19)22(18)28-11-12-29-23-21(27)24(31)15-5-1-2-6-16(15)25(23)32/h1-2,5-6,9-10,13,29H,3-4,7-8,11-12H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
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