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BDBM342694 5-[4-(2-Chloro-4-fluoro-benzoyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 2-trifluoromethyl-benzylamide::US9776991, Example 64

SMILES: Fc1ccc(C(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccccc3C(F)(F)F)CC2)c(Cl)c1

InChI Key: InChIKey=DGZAPUJXFWRLNM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342694   
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))
BDBM342694
PNG
(5-[4-(2-Chloro-4-fluoro-benzoyl)-piperazin-1-ylmet...)
Show SMILES Fc1ccc(C(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccccc3C(F)(F)F)CC2)c(Cl)c1
Show InChI InChI=1S/C25H22ClF4N3O2S/c26-21-13-17(27)5-7-19(21)24(35)33-11-9-32(10-12-33)15-18-6-8-22(36-18)23(34)31-14-16-3-1-2-4-20(16)25(28,29)30/h1-8,13H,9-12,14-15H2,(H,31,34)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25n/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