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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor' and Ligand = 'BDBM50258186'   
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


(RAT)
BDBM50258186
PNG
(4,5-difluoro-N-(5-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-7-12(27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258186
PNG
(4,5-difluoro-N-(5-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-7-12(27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 162n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair