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BDBM50319984 4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzyl)piperidine-1-carboxamide::CHEMBL1082684

SMILES: FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1

InChI Key: InChIKey=PMWQIIOHOWIEAH-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50319984   
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))
BDBM50319984
PNG
(4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
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n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase assessed as [2-3H]-trans-1,3-diphenyl propylene oxide hydrolysis by cellular assay


Bioorg Med Chem Lett 20: 3703-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.078
BindingDB Entry DOI: 10.7270/Q2BV7GTJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50319984
PNG
(4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
PDB
MMDB

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n/an/a 1.02E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 3703-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.078
BindingDB Entry DOI: 10.7270/Q2BV7GTJ
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50319984
PNG
(4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2J2


Bioorg Med Chem Lett 20: 3703-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.078
BindingDB Entry DOI: 10.7270/Q2BV7GTJ
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50319984
PNG
(4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzy...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 20: 3703-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.078
BindingDB Entry DOI: 10.7270/Q2BV7GTJ
More data for this
Ligand-Target Pair