Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50322772'   

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 (Bos taurus (bovine))	BDBM50322772 (7-{[10-(1,2,3,4-Tetrahydroacridin-9-ylamino)decyla...) Show SMILES Oc1c(CNCCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12 Show InChI InChI=1S/C33H42N4O/c38-33-26(20-19-25-14-13-23-35-31(25)33)24-34-21-11-5-3-1-2-4-6-12-22-36-32-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)32/h7,9,13-15,17,19-20,23,34,38H,1-6,8,10-12,16,18,21-22,24H2,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's reaction				J Med Chem 53: 4927-37 (2010) Article DOI: 10.1021/jm100329q BindingDB Entry DOI: 10.7270/Q22Z15QR
					More data for this Ligand-Target Pair