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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 = 'BDBM50017249'   
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))
BDBM50017249
PNG
(CHEMBL3287690 | US10099993, Compound 39)
Show SMILES Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Show InChI InChI=1S/C26H32O6/c1-17-9-10-20(26(29)30)16-24(17)32-14-6-5-13-31-23-12-11-21(25(28)18(23)2)22(27)15-19-7-3-4-8-19/h9-12,16,19,28H,3-8,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.29E+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))
BDBM50017249
PNG
(CHEMBL3287690 | US10099993, Compound 39)
Show SMILES Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Show InChI InChI=1S/C26H32O6/c1-17-9-10-20(26(29)30)16-24(17)32-14-6-5-13-31-23-12-11-21(25(28)18(23)2)22(27)15-19-7-3-4-8-19/h9-12,16,19,28H,3-8,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.29E+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