Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9032'   

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))	BDBM9032 (1H-Indole-3-carboxylic Acid [6-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9032 (1H-Indole-3-carboxylic Acid [6-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair