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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50007896   
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
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069120
PNG
((2S,4S)-2-Amino-4-(3,3-diphenyl-propyl)-pentanedio...)
Show SMILES N[C@@H](C[C@H](CCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H23NO4/c21-18(20(24)25)13-16(19(22)23)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H,22,23)(H,24,25)/t16-,18-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using ACPD sensitive [3H]- glutamate displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069118
PNG
((2S,4S)-2-Amino-4-(3-phenyl-propyl)-pentanedioic a...)
Show SMILES N[C@@H](C[C@H](CCCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H19NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069118
PNG
((2S,4S)-2-Amino-4-(3-phenyl-propyl)-pentanedioic a...)
Show SMILES N[C@@H](C[C@H](CCCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H19NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using ACPD sensitive [3H]- glutamate displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 3 by measuring ACPD (3 uM) induced inhibitio...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069120
PNG
((2S,4S)-2-Amino-4-(3,3-diphenyl-propyl)-pentanedio...)
Show SMILES N[C@@H](C[C@H](CCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H23NO4/c21-18(20(24)25)13-16(19(22)23)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H,22,23)(H,24,25)/t16-,18-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 2 by measuring ACPD (3 uM) induced inhibitio...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 3 by measuring ACPD (3 uM) induced inhibitio...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 2 by measuring ACPD (3 uM) induced inhibitio...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a 1.47E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a 1.47E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 5 by measuring ACPD (100 uM)-stimulated phos...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 8 by measuring L-AP4 (0.3 uM of forskolin) (...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 5 by measuring ACPD (100 uM)-stimulated phos...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
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Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 4 by measuring L-AP4 (3 uM) induced inhibiti...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human mGlu7a receptor by measuring L-AP4 (1000 uM of forskolin (15 microM)-stimula...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 8 by measuring L-AP4 (0.3 uM of forskolin) (...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 4 by measuring L-AP4 (3 uM) induced inhibiti...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human mGlu7a receptor by measuring L-AP4 (1000 uM of forskolin (15 microM)-stimula...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50069111
PNG
((2S,4S)-2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 1 by measuring ACPD (100 uM)-stimulated phos...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50049748
PNG
((2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioi...)
Show SMILES N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 1 by measuring ACPD (100 uM)-stimulated phos...


Bioorg Med Chem Lett 8: 765-70 (1999)


BindingDB Entry DOI: 10.7270/Q2T152SF
More data for this
Ligand-Target Pair