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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Ligand = 'BDBM50435750'   
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))
BDBM50435750
PNG
(CHEMBL2392701)
Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435750
PNG
(CHEMBL2392701)
Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair