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BDBM342709 5-[4-(3-Hydroxy-6-methyl-pyridine-2-carbonyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 2-trifluoromethoxy-benzylamide::US9776991, Example 79

SMILES: Cc1ccc(O)c(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1

InChI Key: InChIKey=NBPBNVSQWZMNAJ-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342709   
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))
BDBM342709
PNG
(5-[4-(3-Hydroxy-6-methyl-pyridine-2-carbonyl)-pipe...)
Show SMILES Cc1ccc(O)c(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C25H25F3N4O4S/c1-16-6-8-19(33)22(30-16)24(35)32-12-10-31(11-13-32)15-18-7-9-21(37-18)23(34)29-14-17-4-2-3-5-20(17)36-25(26,27)28/h2-9,33H,10-15H2,1H3,(H,29,34)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.54n/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