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BDBM50053588 (S)-4-(amino(carboxy)methyl)benzoic acid::(S)-4-carboxyphenylglycine::4-((S)-Amino-carboxy-methyl)-benzoic acid::4-(Amino-carboxy-methyl)-benzoic acid::CHEMBL94990::S-4-Carboxyphenylglycine

SMILES: N[C@H](C(O)=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=VTMJKPGFERYGJF-ZETCQYMHSA-N

Data: 11 KI  6 IC50

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 17 hits for monomerid = 50053588   
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
Metabotropic glutamate receptor


(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
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)

More data for this
Ligand-Target Pair
Glutamate-NMDA


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (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
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
PDB
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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)

More data for this
Ligand-Target Pair
GRIA3


(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
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)

More data for this
Ligand-Target Pair
Glutamate kainate


(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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(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
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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8.38E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)

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
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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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
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 1.55E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional response of human metabotropic glutamate receptor mGluR5a expressed in AV-12 cells by measuring inhibitory concent...


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

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
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
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 5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc-


Bioorg Med Chem Lett 20: 2680-3 (2010)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
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
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 1.50E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Bioorg Med Chem Lett 21: 6184-7 (2011)

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
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)

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
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)

More data for this
Ligand-Target Pair