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PDB code 1SYI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 13 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, AMPA 2

  (143/145 = 99%)
(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

  (143/145 = 99%)
(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

  (143/145 = 99%)
(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

  (102/115 = 89%)
(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

  (102/115 = 89%)
(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, AMPA 2

  (143/145 = 99%)
(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 ionotropic, AMPA 4

  (102/115 = 89%)
(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 4

  (102/115 = 89%)
(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



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)
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



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
Glutamate receptor ionotropic, AMPA 2

  (143/145 = 99%)
(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



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
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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

Similar Ligands in BindingDB*

Found 2 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA1


(HUMAN)
BDBM17661
PNG
((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...)
Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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386n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM17661
PNG
((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...)
Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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898n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output