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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 = 'BDBM50017243'   
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))
BDBM50017243
PNG
(CHEMBL3287683 | US10099993, Compound 32)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1O
Show InChI InChI=1S/C23H27ClO6/c1-14(2)12-20(25)18-8-9-21(15(3)22(18)26)30-11-5-4-10-29-16-6-7-17(23(27)28)19(24)13-16/h6-9,13-14,26H,4-5,10-12H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 151n/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))
BDBM50017243
PNG
(CHEMBL3287683 | US10099993, Compound 32)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1O
Show InChI InChI=1S/C23H27ClO6/c1-14(2)12-20(25)18-8-9-21(15(3)22(18)26)30-11-5-4-10-29-16-6-7-17(23(27)28)19(24)13-16/h6-9,13-14,26H,4-5,10-12H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 151n/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