Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM13548'   

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))	BDBM13548 (3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)	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	0.226	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