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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4
BDBM50163591

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

Found 1 hit 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


(RAT)
BDBM50163591
PNG
(2-(3,4-Dimethoxy-phenyl)-1-(3-ethyl-2-methyl-quino...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H23NO3/c1-5-16-12-18-13-17(7-8-19(18)23-14(16)2)20(24)10-15-6-9-21(25-3)22(11-15)26-4/h6-9,11-13H,5,10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair