Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM13547'   

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))	BDBM13547 (3-(3,4,5-Trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)28(23)37-3)12-13-25(33)29-15-14-26(34)31-32-27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4,6,8,10,16-17H,5,7,9,11-15H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)	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	6.03	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
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