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BDBM342756 5-[4-(3-Methyl-pyridin-2-yl)-3-oxo-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 4-methoxy-2-trifluoromethoxy-benzylamide::US9776991, Example 126

SMILES: COc1ccc(CNC(=O)c2ccc(CN3CCN(C(=O)C3)c3ncccc3C)s2)c(OC(F)(F)F)c1

InChI Key: InChIKey=KHHKDPSBBOJMGF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM342756
PNG
(5-[4-(3-Methyl-pyridin-2-yl)-3-oxo-piperazin-1-ylm...)
Show SMILES COc1ccc(CNC(=O)c2ccc(CN3CCN(C(=O)C3)c3ncccc3C)s2)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H25F3N4O4S/c1-16-4-3-9-29-23(16)32-11-10-31(15-22(32)33)14-19-7-8-21(37-19)24(34)30-13-17-5-6-18(35-2)12-20(17)36-25(26,27)28/h3-9,12H,10-11,13-15H2,1-2H3,(H,30,34)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.75n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Compounds were tested in a biochemical screening assay using recombinant sEH purified from Sf9 insect cells and an artificial substrate, (3-phenyl-ox...


US Patent US9776991 (2017)


BindingDB Entry DOI: 10.7270/Q2V126ZH
More data for this
Ligand-Target Pair