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BDBM50426285 CHEMBL2312403

SMILES: CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O

InChI Key: InChIKey=YWTXUGAXXGHUOR-RITPCOANSA-N

Data: 6 KI  3 IC50  6 EC50

PDB links: 2 PDB IDs match this monomer.

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 15 hits for monomerid = 50426285   
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
Glutamate kainate


(RAT)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillati...


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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KEGG

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Article
PubMed
123n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation cou...


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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700n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK2(VCR) receptor expressed in sf9 cells by liquid scintillati...


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to rat GluA3-LBD (GluK3-S1S2)


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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4.08E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length recombinant rat GluKA2(R) receptor expressed in sf9 cells by liquid scintillation counting


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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1.26E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to rat GluA2-LBD (GluR2-S1S2J)


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu5 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
metabotropic glutamate 1/2


(RAT)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(HUMAN)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT3 expressed in HEK293 cells by [3H]-D-Asp uptake assay


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
Excitatory Amino Acid EAAT2


()
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT2 expressed in HEK293 cells by [3H]-D-Asp uptake assay


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu2 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


Citation and Details
More data for this
Ligand-Target Pair
GRM7


(HUMAN)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu7 receptor expressed in HEK293 assessed as inhibition of forskolin stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by [3H]-D-Asp uptake assay


J Med Chem 56: 1614-28 (2013)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as inhibition of forskolin stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu3 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay


Citation and Details
More data for this
Ligand-Target Pair