BindingDB logo
myBDB logout

BDBM342705 5-[4-(1-Phenyl-cyclopropanecarbonyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 2-trifluoromethyl-benzylamide::US9776991, Example 75

SMILES: FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2(CC2)c2ccccc2)s1

InChI Key: InChIKey=VWEPONFYXMSERL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342705   
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))
BDBM342705
PNG
(5-[4-(1-Phenyl-cyclopropanecarbonyl)-piperazin-1-y...)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2(CC2)c2ccccc2)s1
Show InChI InChI=1S/C28H28F3N3O2S/c29-28(30,31)23-9-5-4-6-20(23)18-32-25(35)24-11-10-22(37-24)19-33-14-16-34(17-15-33)26(36)27(12-13-27)21-7-2-1-3-8-21/h1-11H,12-19H2,(H,32,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.55n/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