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BDBM50434139 CHEMBL2381650

SMILES: N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O

InChI Key: InChIKey=QMTVYANBFIIHRR-SEKJGCFDSA-N

Data: 2 KI  6 IC50  5 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 13 hits for monomerid = 50434139   
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 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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138n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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420n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization afte...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 h...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as reversal of DCG-4-inhibited, forskolin-stimulated cAMP pr...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as reversal of DCG-4-inhibited, forskolin-stimulated cAMP pr...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a 7.02E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 assessed as inhibition of forskolin-stim...


J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a 7.69E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization afte...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu8 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by FLIPR assay


J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.27E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by FLIPR assay


J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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n/an/a 895n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 assessed as inhibition of forskolin-stim...


J Med Chem 56: 4442-55 (2013)


Article DOI: 10.1021/jm4000165
BindingDB Entry DOI: 10.7270/Q20003G4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
PDB

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n/an/an/an/a>2.50E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1.5 hrs by FLIPR assa...


J Med Chem 58: 7526-48 (2015)


BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair