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PDB code 1MQJ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 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

  (133/145 = 92%)
(Homo sapiens)
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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PDB
Article
PubMed
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


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

  (143/145 = 99%)
(Homo sapiens)
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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Article
PubMed
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


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

  (144/145 > 99%)
(Rattus norvegicus)
BDBM50061058
PNG
(2-Amino-3-(2,4-dihydroxy-pyrimidin-1-yl)-propionic...)
Show SMILES NC(Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/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)
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PubMed
1.22E+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 iGluR2(R) expressed in Sf9 cells


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

  (102/115 = 89%)
(Rattus norvegicus)
BDBM50061058
PNG
(2-Amino-3-(2,4-dihydroxy-pyrimidin-1-yl)-propionic...)
Show SMILES NC(Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/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)
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PubMed
1.42E+4n/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


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

  (102/115 = 89%)
(Rattus norvegicus)
BDBM50061058
PNG
(2-Amino-3-(2,4-dihydroxy-pyrimidin-1-yl)-propionic...)
Show SMILES NC(Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/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)
PDB
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SMPDB pathway
KEGG

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PC cid
PC sid
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PDB
Article
PubMed
1.90E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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