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7 similar compounds to monomer 50254338

Compile data set for download or QSAR
Wt: 145.1
BDBM18141
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Wt: 171.2
BDBM50179724
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Wt: 171.2
BDBM50179725
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Wt: 213.2
BDBM50254389
Wt: 213.2
BDBM50254390
Wt: 199.2
BDBM50254337
Wt: 221.2
BDBM50400856
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 18141,50179724,50179725,50254389,50254390,50254337,50400856   
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
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179725
PNG
((S)-2-amino-3-cyclohexylpropanoic acid | 2-AMINO-3...)
Show SMILES N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
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90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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5.50E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Partial agonist potency against cloned Metabotropic glutamate receptor 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 1


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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5.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179724
PNG
((R)-2-amino-3-cyclohexylpropanoic acid | 3-cyclohe...)
Show SMILES N[C@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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2.32E+5n/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))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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2.93E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O
Show InChI InChI=1/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/s2
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Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR2 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR2 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O
Show InChI InChI=1/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O
Show InChI InChI=1/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR2 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O
Show InChI InChI=1/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/s2
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Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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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))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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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)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18141
PNG
((2S,4S)-2-amino-4-methylhexanoic acid | L-2-Amino-...)
Show SMILES CC[C@H](C)C[C@H](N)C(O)=O
Show InChI InChI=1/C7H15NO2/c1-3-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6-/s2
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2.00E+6 -3.62n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


Article DOI: 10.1111/j.1432-1033.1976.tb10435.x
BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/a 2.32E+5n/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against mGluR1 receptor


Bioorg Med Chem Lett 8: 1569-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00265-0
BindingDB Entry DOI: 10.7270/Q2416W6X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/an/an/a 1.00E+4n/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Concentration required to inhibit mGluR2 receptor


Bioorg Med Chem Lett 8: 1569-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00265-0
BindingDB Entry DOI: 10.7270/Q2416W6X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/a 2.30E+5n/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 5


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Concentration required to inhibit mGluR5a receptor


Bioorg Med Chem Lett 8: 1569-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00265-0
BindingDB Entry DOI: 10.7270/Q2416W6X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/an/an/a 2.00E+4n/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Concentration required to inhibit mGluR4a receptor


Bioorg Med Chem Lett 8: 1569-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00265-0
BindingDB Entry DOI: 10.7270/Q2416W6X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50400856
PNG
(CHEMBL2021372)
Show SMILES N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
Show InChI InChI=1/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)/t1?,2?,3?,4?,5?,6?,7-,10?,11?/s2
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n/an/a 7.60E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of mGluR1b receptor


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair