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BDBM50107595 (S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cyclopenta[d]-pyrimidin-2,4(1H,3H)dione::(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID::2-Amino-3-(2,4-dioxo-2,3,4,5,6,7-hexahydro-cyclopentapyrimidin-1-yl)-propionic acid::CHEMBL337577

SMILES: N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O

InChI Key: InChIKey=VSGUEKZRMJVQOH-MDOHGIEYNA-N

Data: 14 KI  8 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 22 hits for monomerid = 50107595   
Target
(Institution)
LigandTarget
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)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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44n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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44n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells


J Med Chem 54: 4793-805 (2011)

More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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109n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

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


(Mus musculus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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109n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards GluR1 receptor from rat brain


J Med Chem 44: 4501-4 (2001)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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218n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Ionotropic glutamate receptor AMPA 2 from rat brain


J Med Chem 44: 4501-4 (2001)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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223n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2 expressed in Sf9 cells


J Med Chem 54: 4793-805 (2011)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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223n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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1.76E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards GluR4 receptor from rat brain


J Med Chem 44: 4501-4 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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1.89E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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2.09E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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2.14E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Ionotropic glutamate receptor AMPA 3 from rat brain


J Med Chem 44: 4501-4 (2001)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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5.09E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells


J Med Chem 54: 4793-805 (2011)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat GluK2 expressed in Sf9 cells


J Med Chem 54: 4793-805 (2011)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from rat recombinant iGluR6(V,C,R) receptor expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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n/an/an/an/a 2.24E+5n/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR3 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electro...


J Med Chem 51: 6614-8 (2008)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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n/an/an/an/a 1.39E+4n/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR2(Q) expressed in Xenopus laevis oocytes by two electrode voltage-clamp elec...


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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n/an/an/an/a 2.49E+4n/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR1 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electro...


J Med Chem 51: 6614-8 (2008)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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n/an/an/an/a 3.43E+4n/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR4c expressed in Xenopus laevis oocytes by two electrode voltage-clamp electr...


J Med Chem 51: 6614-8 (2008)

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


(Mus musculus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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n/an/an/an/a 2.49E+4n/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
The potency at recombinant rat AMPA-R was measured on GluR1 receptor expressed in Xenopus Laevis oocytes


J Med Chem 44: 4501-4 (2001)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 3.43E+4n/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
The potency at recombinant rat AMPA-R was measured on GluR4 receptor expressed in Xenopus Laevis oocytes


J Med Chem 44: 4501-4 (2001)

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


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PubMed
n/an/an/an/a 1.39E+4n/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
The potency at recombinant rat AMPA-R was measured on receptor Ionotropic glutamate receptor AMPA 2 expressed in Xenopus Laevis oocytes


J Med Chem 44: 4501-4 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/an/an/a 2.24E+5n/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
The potency at recombinant rat AMPA-R was measured on Ionotropic glutamate receptor AMPA 3 expressed in Xenopus Laevis oocytes


J Med Chem 44: 4501-4 (2001)

More data for this
Ligand-Target Pair