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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM372980'   
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))
BDBM372980
PNG
(5-[6-(pyridin-2- | US10246432, Example 21 | US1058...)
Show SMILES N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H9N5/c18-9-12-5-13(10-19)7-14(6-12)16-8-17(22-11-21-16)15-3-1-2-4-20-15/h1-8,11H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.5n/an/an/an/an/an/an/an/a



Research Triangle Institute



Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


J Med Chem 50: 3686-95 (2007)


BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372980
PNG
(5-[6-(pyridin-2- | US10246432, Example 21 | US1058...)
Show SMILES N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H9N5/c18-9-12-5-13(10-19)7-14(6-12)16-8-17(22-11-21-16)15-3-1-2-4-20-15/h1-8,11H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2G73JNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372980
PNG
(5-[6-(pyridin-2- | US10246432, Example 21 | US1058...)
Show SMILES N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H9N5/c18-9-12-5-13(10-19)7-14(6-12)16-8-17(22-11-21-16)15-3-1-2-4-20-15/h1-8,11H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.5n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair