Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM8980'   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM8980 (N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetr...) Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C28H34N4O/c33-27(29-18-21-14-16-32(17-15-21)20-22-8-2-1-3-9-22)19-30-28-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)28/h1-4,6,8-10,12,21H,5,7,11,13-20H2,(H,29,33)(H,30,31)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				Bioorg Med Chem Lett 14: 4639-42 (2004) Article DOI: 10.1016/j.bmcl.2004.07.005 BindingDB Entry DOI: 10.7270/Q23X84VR
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