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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.8
BDBM50159570

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))
BDBM50159570
PNG
(CHEMBL3786060)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C20H17ClN2O2/c1-13-8-9-25-19(13)20(24)22-16-6-7-18(17(21)10-16)23-11-14-4-2-3-5-15(14)12-23/h2-10H,11-12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.78E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human mGlu1 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calci...


Bioorg Med Chem Lett 26: 1869-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.031
BindingDB Entry DOI: 10.7270/Q2Z03B11
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50159570
PNG
(CHEMBL3786060)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C20H17ClN2O2/c1-13-8-9-25-19(13)20(24)22-16-6-7-18(17(21)10-16)23-11-14-4-2-3-5-15(14)12-23/h2-10H,11-12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.76E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human mGlu1 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calci...


Bioorg Med Chem Lett 26: 1869-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.031
BindingDB Entry DOI: 10.7270/Q2Z03B11
More data for this
Ligand-Target Pair