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PDB code 5AI5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (548/548 = 100%)
(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

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MMDB
PC cid
PC sid
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PDB
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase

  (548/548 = 100%)
(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonat...


Bioorg Med Chem Lett 23: 3818-21 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output