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BDBM50335972 1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea::CHEMBL1668932

SMILES: CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=WGDIJYGQSIUZOV-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50335972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50335972
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
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CHEMBL
PC cid
PC sid
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Article
PubMed
15n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50335972
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50335972
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair