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BDBM50178141 (S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)pyrimidine-2,4-dione::(S)-4-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid::CHEMBL200337

SMILES: N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C(O)=O

InChI Key: InChIKey=XLRLZPOBHPIDFX-NSHDSACASA-N

Data: 2 KI  1 IC50  2 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 5 hits for monomerid = 50178141   
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)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(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)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(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)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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>1.00E+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)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(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)7-9-1-3-10(4-2-9)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 2.90E+5n/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2 ligand binding domain after 1 hr


J Med Chem 56: 2283-93 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic kainate 5


(Rattus norvegicus)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(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)7-9-1-3-10(4-2-9)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 9.25E+3n/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)

More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(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)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 9.25E+3n/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)

More data for this
Ligand-Target Pair