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BDBM50052553 (2S)-2-aminohexanedioic acid::(S)-2-aminohexanedioic acid::CHEMBL88804::L-2-aminoadipic acid

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

InChI Key: InChIKey=OYIFNHCXNCRBQI-BYPYZUCNSA-N

Data: 5 KI  12 EC50

PDB links: 9 PDB IDs match this monomer.

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 = 50052553   
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))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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3.50E+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 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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1.40E+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 6 (mGluR-6).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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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 1


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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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 metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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>3.00E+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)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a 1.40E+5n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu6 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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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
Agonistic activity at mGlu1-alpha receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6 (mGlu6)


(Rattus norvegicus (Rat))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a 1.40E+5n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effect on Metabotropic glutamate receptor 6


J Med Chem 40: 3700-5 (1997)


Article DOI: 10.1021/jm9703597
BindingDB Entry DOI: 10.7270/Q2W66MF9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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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
Effect on Metabotropic glutamate receptor 1


J Med Chem 40: 3700-5 (1997)


Article DOI: 10.1021/jm9703597
BindingDB Entry DOI: 10.7270/Q2W66MF9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effect on Metabotropic glutamate receptor 2


J Med Chem 40: 3700-5 (1997)


Article DOI: 10.1021/jm9703597
BindingDB Entry DOI: 10.7270/Q2W66MF9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a>3.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effect on Metabotropic glutamate receptor 4


J Med Chem 40: 3700-5 (1997)


Article DOI: 10.1021/jm9703597
BindingDB Entry DOI: 10.7270/Q2W66MF9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu2 receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a>3.00E+6n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonistic activity at mGlu4a receptor expressed in CHO cells


J Med Chem 39: 3188-94 (1996)


Article DOI: 10.1021/jm9602569
BindingDB Entry DOI: 10.7270/Q2M909BH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 1


J Med Chem 45: 4240-5 (2002)


Article DOI: 10.1021/jm020122x
BindingDB Entry DOI: 10.7270/Q28G8K2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a>3.00E+6n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 4


J Med Chem 45: 4240-5 (2002)


Article DOI: 10.1021/jm020122x
BindingDB Entry DOI: 10.7270/Q28G8K2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 5


J Med Chem 45: 4240-5 (2002)


Article DOI: 10.1021/jm020122x
BindingDB Entry DOI: 10.7270/Q28G8K2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50052553
PNG
((2S)-2-aminohexanedioic acid | (S)-2-aminohexanedi...)
Show SMILES N[C@@H](CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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PubMed
n/an/an/an/a 3.50E+4n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 2


J Med Chem 45: 4240-5 (2002)


Article DOI: 10.1021/jm020122x
BindingDB Entry DOI: 10.7270/Q28G8K2W
More data for this
Ligand-Target Pair