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BDBM50278182 CHEMBL512871::N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1

InChI Key: InChIKey=XHFWYNDTVUIGPB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50278182   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50278182
PNG
(CHEMBL512871 | N-benzyl-1-(mesitylsulfonyl)piperid...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H28N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
PDB

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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair