BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.8
BDBM50122250

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


(Rattus norvegicus (Rat))
BDBM50122250
PNG
(CHEMBL3617642)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-25(17-4-2-3-14(7-17)9-22)20(27)18-8-16(24-26(13)18)12-28-19-6-5-15(21)10-23-19/h2-8,10,13H,11-12H2,1H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 825n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50122250
PNG
(CHEMBL3617642)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-25(17-4-2-3-14(7-17)9-22)20(27)18-8-16(24-26(13)18)12-28-19-6-5-15(21)10-23-19/h2-8,10,13H,11-12H2,1H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 832n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50122250
PNG
(CHEMBL3617642)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-25(17-4-2-3-14(7-17)9-22)20(27)18-8-16(24-26(13)18)12-28-19-6-5-15(21)10-23-19/h2-8,10,13H,11-12H2,1H3/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50122250
PNG
(CHEMBL3617642)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-25(17-4-2-3-14(7-17)9-22)20(27)18-8-16(24-26(13)18)12-28-19-6-5-15(21)10-23-19/h2-8,10,13H,11-12H2,1H3/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair