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BDBM50327852 1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl)urea::CHEMBL1257518::US9296693, 54

SMILES: Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=IZEJBCBZKQOXMT-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50327852   
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))
BDBM50327852
PNG
(1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)32-14-3-1-12(2-4-14)24-19(31)25-13-5-7-26(8-6-13)18(30)11-9-15(27)17(29)16(28)10-11/h1-4,9-10,13,27-29H,5-8H2,(H2,24,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327852
PNG
(1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)32-14-3-1-12(2-4-14)24-19(31)25-13-5-7-26(8-6-13)18(30)11-9-15(27)17(29)16(28)10-11/h1-4,9-10,13,27-29H,5-8H2,(H2,24,25,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327852
PNG
(1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)32-14-3-1-12(2-4-14)24-19(31)25-13-5-7-26(8-6-13)18(30)11-9-15(27)17(29)16(28)10-11/h1-4,9-10,13,27-29H,5-8H2,(H2,24,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327852
PNG
(1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)32-14-3-1-12(2-4-14)24-19(31)25-13-5-7-26(8-6-13)18(30)11-9-15(27)17(29)16(28)10-11/h1-4,9-10,13,27-29H,5-8H2,(H2,24,25,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair