Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9071'   

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))	BDBM9071 (2-[7-(Acridin-9-ylamino)-heptyl]-isoindole-1,3-dio...) Show SMILES O=C1N(CCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C28H27N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-9,12-17H,1-3,10-11,18-19H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
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