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BDBM50207593 (S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE::(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophene-3-ylmethyl)-5-methylpyrimidine-2,4-dione::CHEMBL373428

SMILES: Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O

InChI Key: InChIKey=ZTAZUCRXCRXNSU-VIFPVBQESA-N

Data: 1 KI  2 IC50  1 Kd

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 4 hits for monomerid = 50207593   
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
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50207593
PNG
((S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHEN...)
Show SMILES Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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PC sid
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Article
PubMed
23n/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)


Article DOI: 10.1021/jm2004078
BindingDB Entry DOI: 10.7270/Q2RR1ZM2
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50207593
PNG
((S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHEN...)
Show SMILES Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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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 receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50207593
PNG
((S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHEN...)
Show SMILES Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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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
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50207593
PNG
((S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHEN...)
Show SMILES Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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n/an/an/a 18n/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)