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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 3' and Ligand = 'BDBM50151435'   
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 3


(Rattus norvegicus (Rat))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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4.46n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Binding affinity to mGLUR3


Bioorg Med Chem Lett 22: 1958-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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PubMed
n/an/a 24n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit metabotropic glutamate receptor 3 activity of rat expressed in CHO cells


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at mGLUR3 expressed in CHO cells assessed as inhibition of glutamate-induced inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 22: 1958-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Effective concentration for agonistic activity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair