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PubMed code 8831765

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
BDBM50053585
PNG
((S)-4-(amino(carboxy)methyl)-2-hydroxybenzoic acid...)
Show SMILES N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
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PubMed
n/an/a 4.00E+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
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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PubMed
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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n/an/a 1.55E+5n/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
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50030630
PNG
((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...)
Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
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n/an/a 2.14E+5n/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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053586
PNG
((S)-3-Carboxy-4-hydroxyphenylglycine | (S)-5-(amin...)
Show SMILES N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
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n/an/a 2.90E+5n/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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 2.20E+4n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration of the compound for half maximal stimulation 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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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PubMed
n/an/an/an/a 200n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration of the compound for half maximal stimulation 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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50053589
PNG
((S)-3-Hydroxyphenylglycine | (S)-Amino-(3-hydroxy-...)
Show SMILES N[C@H](C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
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n/an/an/an/a 6.80E+4n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration of the compound for half maximal stimulation 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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50034501
PNG
((S)-Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid | ...)
Show SMILES N[C@H](C(O)=O)c1cc(=O)[nH]o1
Show InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
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PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration of the compound for half maximal stimulation 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
* indicates data uncertainty>20%