Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50231961'   

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))	BDBM50231961 (3,8-diamino-5-(3-{3-[3-(2-methoxy-benzylamino)-pro...) Show SMILES COc1ccccc1CNCCCNCCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C36H44N6O/c1-43-35-13-6-5-12-28(35)26-41-21-8-20-39-18-7-19-40-22-9-23-42-34-25-30(38)15-17-32(34)31-16-14-29(37)24-33(31)36(42)27-10-3-2-4-11-27/h2-6,10-17,24-25,38-41H,7-9,18-23,26,37H2,1H3/p+1	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	952	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W
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