Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM13549'   

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))	BDBM13549 (3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.139	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair