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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50053588'   
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


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by PDSP Ki Database




Eur J Pharmacol 267: 77-84 (1994)


Article DOI: 10.1016/0922-4106(94)90227-5
BindingDB Entry DOI: 10.7270/Q2RX99MZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by PDSP Ki Database




Eur J Pharmacol 267: 77-84 (1994)


Article DOI: 10.1016/0922-4106(94)90227-5
BindingDB Entry DOI: 10.7270/Q2RX99MZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Eur J Pharmacol 350: 311-6 (1998)


Article DOI: 10.1016/s0014-2999(98)00246-5
BindingDB Entry DOI: 10.7270/Q2FT8JK6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory co...


Bioorg Med Chem Lett 7: 2777-2780 (1997)


Article DOI: 10.1016/S0960-894X(97)10071-3
BindingDB Entry DOI: 10.7270/Q25Q4W4G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for half maximal inhibition of PI hydrolysis (mGluR1a)


J Med Chem 39: 3998-4006 (1996)


Article DOI: 10.1021/jm9601718
BindingDB Entry DOI: 10.7270/Q2765DFJ
More data for this
Ligand-Target Pair