BindingDB logo
myBDB logout

BDBM50185318 (S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophene-3-ylmethyl)pyrimidine-2,4-dione::(S)-3-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)thiophene-2-carboxylic acid::CHEMBL379442

SMILES: N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O

InChI Key: InChIKey=UAXLYVRHOALTNF-QMMMGPOBSA-N

Data: 2 KI  4 IC50  2 Kd

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 8 hits for monomerid = 50185318   
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/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-Kainate 7


(Homo sapiens (Human))
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.11E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human GLUK7 expressed in HEK293 cell membranes


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 kainate 5


(Rattus norvegicus)
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 105n/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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 105n/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
GRIA2


(Homo sapiens (Human))
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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-Kainate 7


(Homo sapiens (Human))
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.64E+5n/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human GLUK7 expressed in HEK293 cell membranes


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
GRIK1


(Homo sapiens (Human))
BDBM50185318
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophe...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 680n/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUK5 by FLIPR assay


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