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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.3
BDBM50244239

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50244239
PNG
(CHEMBL4068679)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)/t9-,10-,11-,12-,15-/m0/s1
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UniProtKB/SwissProt

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1.07E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50244239
PNG
(CHEMBL4068679)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)/t9-,10-,11-,12-,15-/m0/s1
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1.12E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in HEK cell membranes after 90 mins by liquid scintillation counting


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50244239
PNG
(CHEMBL4068679)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)/t9-,10-,11-,12-,15-/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 356n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu3 receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF a...


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50244239
PNG
(CHEMBL4068679)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)/t9-,10-,11-,12-,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 508n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu2 receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF a...


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair