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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50301892   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epoxide hydratase


(Homo sapiens (Human))
BDBM50301892
PNG
(CHEMBL584810 | N-benzylquinoxalin-2-amine)
Show SMILES C(Nc1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-17-15-11-16-13-8-4-5-9-14(13)18-15/h1-9,11H,10H2,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


Bioorg Med Chem Lett 19: 5716-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.006
BindingDB Entry DOI: 10.7270/Q2Z0388B
More data for this
Ligand-Target Pair