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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50305049'   
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 5


(Homo sapiens (Human))
BDBM50305049
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305049
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair