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BDBM50252921 (S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,4,5,6,7-hexahydrocyclopentapyrimidin-2,4-dione::CHEMBL492629

SMILES: CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O

InChI Key: InChIKey=UCJXLBUMFLKZEX-ZETCQYMHSA-N

Data: 6 KI

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 6 hits for monomerid = 50252921   
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
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
102n/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 iGluR1 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
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PC sid
UniChem

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Article
PubMed
126n/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


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
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UniChem

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Article
PubMed
976n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
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Article
PubMed
1.51E+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 iGluR3 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
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PubMed
1.59E+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 iGluR4 expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50252921
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)-6,6-dimethyl-2,3,...)
Show SMILES CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O4/c1-12(2)3-6-8(4-12)15(5-7(13)10(17)18)11(19)14-9(6)16/h7H,3-5,13H2,1-2H3,(H,17,18)(H,14,16,19)/t7-/m0/s1
PDB
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Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]kainic acid from rat recombinant iGluR6(V,C,R) receptor expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair