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BDBM50178136 (S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)-pyrimidine-2,4-dione::(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione::(S)-2-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid::CHEMBL372797::UBP-302

SMILES: N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O

InChI Key: InChIKey=UUIYULWYHDSXHL-NSHDSACASA-N

Data: 2 KI  3 IC50  5 Kd

PDB links: 1 PDB ID matches 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 10 hits for monomerid = 50178136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 expressed in HEK293 cells


J Med Chem 49: 2579-92 (2006)


Article DOI: 10.1021/jm051086f
BindingDB Entry DOI: 10.7270/Q2FQ9W76
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/an/a 1.46E+5n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from wild type rat GluR2 S1S2 ligand binding core


Bioorg Med Chem 17: 6390-401 (2009)


Article DOI: 10.1016/j.bmc.2009.07.021
BindingDB Entry DOI: 10.7270/Q2GH9J22
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/an/a 3.94E+3n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]S-glutamate from rat GluR5 S1S2 ligand binding core expressed in Escherichia coli (DE3)


Bioorg Med Chem 17: 6390-401 (2009)


Article DOI: 10.1016/j.bmc.2009.07.021
BindingDB Entry DOI: 10.7270/Q2GH9J22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate-Kainate 7


(Homo sapiens (Human))
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluK3 receptor (unknown origin) expressed in Xenopus oocyte assessed as inhibition of glutamate-induced current am...


Bioorg Med Chem Lett 26: 5568-5572 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.075
BindingDB Entry DOI: 10.7270/Q29S1T0N
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/an/a 402n/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Antagonism on GLUK5 containing kainate induced deploarization of isolated neonatal rat dorsal root C-fibers


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GLUA2-AMPA receptor expressed in HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx ...


J Med Chem 50: 1558-70 (2007)


Article DOI: 10.1021/jm061041u
BindingDB Entry DOI: 10.7270/Q2X34Z8Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/an/a 402n/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-induced depolarization of neonatal anaesthetised rat dorsal root fibres


J Med Chem 50: 1558-70 (2007)


Article DOI: 10.1021/jm061041u
BindingDB Entry DOI: 10.7270/Q2X34Z8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GLUK6 expressed in HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by FLIPR assay


J Med Chem 50: 1558-70 (2007)


Article DOI: 10.1021/jm061041u
BindingDB Entry DOI: 10.7270/Q2X34Z8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic kainate 5


(Rattus norvegicus)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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n/an/an/a 402n/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Antagonist activity against GLUK5-containing kainate receptor by inhibition of kainate-induced depolarization of neonatal rat dorsal root fibers


J Med Chem 49: 2579-92 (2006)


Article DOI: 10.1021/jm051086f
BindingDB Entry DOI: 10.7270/Q2FQ9W76
More data for this
Ligand-Target Pair