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BDBM25744 3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea::US10383835, Compound 1555::US8501783, 1555::Urea-based compound, 25

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

InChI Key: InChIKey=UAKAZEQUWPXSOS-UHFFFAOYSA-N

Data: 10 IC50

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

Found 10 hits for monomerid = 25744   
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
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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Article
PubMed
n/an/a 3.16E+4n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 11.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.


US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 79n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric 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))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 12n/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
Soluble Epoxide Hydrolase


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 9.30E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Soluble Epoxide Hydrolase


(Sus scrofa (Pig))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 201n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 480n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 59n/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