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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50017272'   
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 2


(Homo sapiens (Human))
BDBM50017272
PNG
(CHEMBL193982 | US10099993, Compound 5)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1O
Show InChI InChI=1S/C25H32O7/c1-16(2)14-22(27)20-9-10-23(17(3)25(20)30)32-13-5-4-12-31-19-8-6-18(21(26)15-19)7-11-24(28)29/h6,8-10,15-16,26,30H,4-5,7,11-14H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 2.45E+3n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017272
PNG
(CHEMBL193982 | US10099993, Compound 5)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1O
Show InChI InChI=1S/C25H32O7/c1-16(2)14-22(27)20-9-10-23(17(3)25(20)30)32-13-5-4-12-31-19-8-6-18(21(26)15-19)7-11-24(28)29/h6,8-10,15-16,26,30H,4-5,7,11-14H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.45E+3n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated...


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair