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SMILES: FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1

InChI Key: InChIKey=MPEQBFXQQMVCCS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 408987   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408987
PNG
(US10377744, Compound No. 8 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-5-3-14(4-6-16)23-18(27)24-15-7-9-25(10-8-15)17(26)13-2-1-11-28-12-13/h3-6,13,15H,1-2,7-12H2,(H2,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.99n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM408987
PNG
(US10377744, Compound No. 8 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-5-3-14(4-6-16)23-18(27)24-15-7-9-25(10-8-15)17(26)13-2-1-11-28-12-13/h3-6,13,15H,1-2,7-12H2,(H2,23,24,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.99n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HH6Q63
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408987
PNG
(US10377744, Compound No. 8 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-5-3-14(4-6-16)23-18(27)24-15-7-9-25(10-8-15)17(26)13-2-1-11-28-12-13/h3-6,13,15H,1-2,7-12H2,(H2,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Any of a number of standard assays for determining epoxide hydrolase activity can be used to determine inhibition of sEH. For example, suitable assay...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H7M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408987
PNG
(US10377744, Compound No. 8 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-5-3-14(4-6-16)23-18(27)24-15-7-9-25(10-8-15)17(26)13-2-1-11-28-12-13/h3-6,13,15H,1-2,7-12H2,(H2,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115735
BindingDB Entry DOI: 10.7270/Q2SF30T4
More data for this
Ligand-Target Pair