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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.4
BDBM50163626

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)
BDBM50163626
PNG
(CHEMBL177866 | Chroman-3-yl-(3-ethyl-2-methyl-quin...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2C1
Show InChI InChI=1S/C22H21NO2/c1-3-15-10-18-12-17(8-9-20(18)23-14(15)2)22(24)19-11-16-6-4-5-7-21(16)25-13-19/h4-10,12,19H,3,11,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/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