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BDBM342683 5-[4-(2-Ethoxy-benzoyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 2-trifluoromethyl-benzylamide::US9776991, Example 53

SMILES: CCOc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1

InChI Key: InChIKey=OJYQPAFDSPTOGT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342683   
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))
BDBM342683
PNG
(5-[4-(2-Ethoxy-benzoyl)-piperazin-1-ylmethyl]-thio...)
Show SMILES CCOc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H28F3N3O3S/c1-2-36-23-10-6-4-8-21(23)26(35)33-15-13-32(14-16-33)18-20-11-12-24(37-20)25(34)31-17-19-7-3-5-9-22(19)27(28,29)30/h3-12H,2,13-18H2,1H3,(H,31,34)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.02n/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