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BDBM82355 Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Ibotenic acid)::CAS_2552-55-8::CHEMBL284895::Ibotenate::Ibotenic acid::NSC_1233

SMILES: NC(C(O)=O)c1cc(=O)[nH]o1

InChI Key: InChIKey=IRJCBFDCFXCWGO-UHFFFAOYSA-N

Data: 23 KI  3 EC50

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 26 hits for monomerid = 82355   
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 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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89n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0752590.x
BindingDB Entry DOI: 10.7270/Q2J67FGZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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1.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0752590.x
BindingDB Entry DOI: 10.7270/Q2J67FGZ
More data for this
Ligand-Target Pair
metabotropic glutamate 5a


(PORCINE)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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1.93E+3n/an/an/an/an/an/an/an/a



CNRS CCIPE

Curated by PDSP Ki Database




J Neurosci 15: 3970-81 (1995)


BindingDB Entry DOI: 10.7270/Q2WM1BXH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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2.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
metabotropic glutamate 5a


(PORCINE)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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2.87E+3n/an/an/an/an/an/an/an/a



CNRS CCIPE

Curated by PDSP Ki Database




J Neurosci 15: 3970-81 (1995)


BindingDB Entry DOI: 10.7270/Q2WM1BXH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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UPR Centre

Curated by PDSP Ki Database




Mol Pharmacol 50: 923-30 (1996)


BindingDB Entry DOI: 10.7270/Q2M61HS5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



UPR Centre

Curated by PDSP Ki Database




Mol Pharmacol 50: 923-30 (1996)


BindingDB Entry DOI: 10.7270/Q2M61HS5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 37: 205-37 (1997)


Article DOI: 10.1146/annurev.pharmtox.37.1.205
BindingDB Entry DOI: 10.7270/Q2M043ZH
More data for this
Ligand-Target Pair
Metabotropic Glutamate 1a


(PORCINE)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS CCIPE

Curated by PDSP Ki Database




J Neurosci 15: 3970-81 (1995)


BindingDB Entry DOI: 10.7270/Q2WM1BXH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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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: 10.1111/cbdd.12588
BindingDB Entry DOI: 10.7270/Q2FT8JK6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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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: 10.1111/cbdd.12588
BindingDB Entry DOI: 10.7270/Q2FT8JK6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Eur J Pharmacol 350: 311-6 (1998)


Article DOI: 10.1111/cbdd.12588
BindingDB Entry DOI: 10.7270/Q2FT8JK6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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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: 10.1111/cbdd.12588
BindingDB Entry DOI: 10.7270/Q2FT8JK6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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1.70E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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4.30E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human metabotropic glutamate receptor 1


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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1.10E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4)


J Med Chem 43: 2609-45 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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n/an/an/an/a 4.30E+4n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for agonistic activity against mGluR1 alpha metabotropic receptor subtype in rat cortical slice model


Bioorg Med Chem Lett 8: 1563-8 (1999)


BindingDB Entry DOI: 10.7270/Q27P8XJ2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for agonistic activity against mGluR4a alpha metabotropic receptor subtype in rat cortical slice model


Bioorg Med Chem Lett 8: 1563-8 (1999)


BindingDB Entry DOI: 10.7270/Q27P8XJ2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(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)
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PC sid
UniChem

Patents

PubMed
n/an/an/an/a 1.10E+5n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for agonistic activity against mGluR2 alpha metabotropic receptor subtype in rat cortical slice model


Bioorg Med Chem Lett 8: 1563-8 (1999)


BindingDB Entry DOI: 10.7270/Q27P8XJ2
More data for this
Ligand-Target Pair