BDBM86712 CAS_868359-05-1::N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARAGINE::WAY 213613

SMILES c1cc(ccc1NC(=O)C[C@@H](C(=O)O)N)Oc2cc(c(cc2Br)F)F

InChI Key InChIKey=BNYDDAAZMBUFRG-UHFFFAOYSA-N

Data  3 KI  12 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 86712   

TargetExcitatory amino acid transporter 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 3(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 130nMAssay Description:Inhibitory concentration against glutamate uptake in oocytes expressing in human Excitatory amino acid transporter 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetExcitatory amino acid transporter 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 80nMAssay Description:Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetExcitatory amino acid transporter 4(Rat)
University of Groningen

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of rat EAAT4 expressed in tsA201 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 851nMAssay Description:Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 71nMAssay Description:Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetExcitatory amino acid transporter 4(Rat)
University of Groningen

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of rat EAAT4 expressed in tsA201 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 860nMAssay Description:Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 3(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 71nMAssay Description:Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetExcitatory amino acid transporter 3(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataKi:  85nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetExcitatory amino acid transporter 3(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataKi:  3.79E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMed
TargetExcitatory amino acid transporter 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86712(N-[4-(2-BROMO-4,5-DIFLUOROPHENOXY)PHENYL]-L-ASPARA...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2012
Entry Details Article
PubMed