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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.8
BDBM50159576

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))
BDBM50159576
PNG
(CHEMBL3785252)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H17ClN2O3/c1-13-9-11-27-19(13)20(25)23-15-6-7-18(17(22)12-15)24-10-8-14-4-2-3-5-16(14)21(24)26/h2-7,9,11-12H,8,10H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 776n/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))
BDBM50159576
PNG
(CHEMBL3785252)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H17ClN2O3/c1-13-9-11-27-19(13)20(25)23-15-6-7-18(17(22)12-15)24-10-8-14-4-2-3-5-16(14)21(24)26/h2-7,9,11-12H,8,10H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 781n/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