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BDBM50319987 4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)piperidine-1-carboxamide::CHEMBL1085744

SMILES: FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1

InChI Key: InChIKey=VIVYDKNMRZTMHS-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50319987   
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))
BDBM50319987
PNG
(4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1
Show InChI InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 14n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50319987
PNG
(4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1
Show InChI InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)
PDB
MMDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 800n/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))
BDBM50319987
PNG
(4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)...)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1
Show InChI InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+4n/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