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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.2
BDBM50291679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50291679
PNG
(4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid...)
Show SMILES CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 4.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Metabotropic glutamate receptor 2 was determined


Bioorg Med Chem Lett 7: 1195-1198 (1997)


Article DOI: 10.1016/S0960-894X(97)00177-7
BindingDB Entry DOI: 10.7270/Q2MC901V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50291679
PNG
(4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid...)
Show SMILES CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 9.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Metabotropic glutamate receptor 1 was determined


Bioorg Med Chem Lett 7: 1195-1198 (1997)


Article DOI: 10.1016/S0960-894X(97)00177-7
BindingDB Entry DOI: 10.7270/Q2MC901V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50291679
PNG
(4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid...)
Show SMILES CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
Show InChI InChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.55E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Metabotropic glutamate receptor 5 was determined


Bioorg Med Chem Lett 7: 1195-1198 (1997)


Article DOI: 10.1016/S0960-894X(97)00177-7
BindingDB Entry DOI: 10.7270/Q2MC901V
More data for this
Ligand-Target Pair