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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50278150   
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))
BDBM50278150
PNG
(CHEMBL480496 | N-(2,4-dichlorobenzyl)-1-(2,4,6-tri...)
Show SMILES CC(C)(C)c1cc(c(c(c1)C(C)(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)C
Show InChI InChI=1S/C31H44Cl2N2O3S/c1-29(2,3)22-16-24(30(4,5)6)27(25(17-22)31(7,8)9)39(37,38)35-14-12-20(13-15-35)28(36)34-19-21-10-11-23(32)18-26(21)33/h10-11,16-18,20H,12-15,19H2,1-9H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44.5n/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