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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 228.2
BDBM50052554

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 1


(Homo sapiens (Human))
BDBM50052554
PNG
(2-Amino-6-(3-hydroxy-5-methyl-isoxazol-4-yl)-hexan...)
Show SMILES Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-6-7(9(13)12-16-6)4-2-3-5-8(11)10(14)15/h8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu1-alpha receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50052554
PNG
(2-Amino-6-(3-hydroxy-5-methyl-isoxazol-4-yl)-hexan...)
Show SMILES Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-6-7(9(13)12-16-6)4-2-3-5-8(11)10(14)15/h8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu6 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50052554
PNG
(2-Amino-6-(3-hydroxy-5-methyl-isoxazol-4-yl)-hexan...)
Show SMILES Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-6-7(9(13)12-16-6)4-2-3-5-8(11)10(14)15/h8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu2 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair