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PDB code 4Y2Q

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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

  (555/555 = 100%)
(Homo sapiens (Human))
BDBM50027018
PNG
(1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine | CH...)
Show SMILES FC(F)(F)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
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KEGG

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PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 m...


Bioorg Med Chem 23: 2310-7 (2015)

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