Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50271519'   

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))	BDBM50271519 (3,4-bis{[(1,2,3,4-Tetrahydroacridin-9-yl)amino]eth...) Show SMILES C(Cc1cocc1CCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H36N4O/c1-5-13-29-25(9-1)33(26-10-2-6-14-30(26)37-29)35-19-17-23-21-39-22-24(23)18-20-36-34-27-11-3-7-15-31(27)38-32-16-8-4-12-28(32)34/h1,3,5,7,9,11,13,15,21-22H,2,4,6,8,10,12,14,16-20H2,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.29	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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