Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50271472'   

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))	BDBM50271472 (1,3-bis{[(1,2,3,4-Tetrahydroacridin-9-yl)amino]eth...) Show SMILES C(Cc1cccc(CCNc2c3CCCCc3nc3ccccc23)c1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H38N4/c1-5-16-31-27(12-1)35(28-13-2-6-17-32(28)39-31)37-22-20-25-10-9-11-26(24-25)21-23-38-36-29-14-3-7-18-33(29)40-34-19-8-4-15-30(34)36/h1,3,5,7,9-12,14,16,18,24H,2,4,6,8,13,15,17,19-23H2,(H,37,39)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.924	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
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