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SMILES: FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1

InChI Key: InChIKey=MZXUPAAYJURXJP-UHFFFAOYSA-N

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 3 hits for monomerid = 408997   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408997
PNG
(US10377744, Compound No. 18 | US11123311, Compound...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115735
BindingDB Entry DOI: 10.7270/Q2SF30T4
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408997
PNG
(US10377744, Compound No. 18 | US11123311, Compound...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.74n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408997
PNG
(US10377744, Compound No. 18 | US11123311, Compound...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.74n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H7M
More data for this
Ligand-Target Pair