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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.8
BDBM50128230

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

Found 2 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 1


(Homo sapiens (Human))
BDBM50128230
PNG
(CHEMBL3628096)
Show SMILES CCc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-2-13-8-10-18(28-13)19(25)23-12-7-9-17(16(22)11-12)24-20(26)14-5-3-4-6-15(14)21(24)27/h3-11H,2H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
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

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM ...


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50128230
PNG
(CHEMBL3628096)
Show SMILES CCc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-2-13-8-10-18(28-13)19(25)23-12-7-9-17(16(22)11-12)24-20(26)14-5-3-4-6-15(14)21(24)27/h3-11H,2H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
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

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM ...


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair