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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 3' and Ligand = 'BDBM50017211'   
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 3


(Rattus norvegicus (Rat))
BDBM50017211
PNG
(CHEMBL3287695 | US10099993, Compound 44)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C24H30O7/c1-15(2)13-19(25)18-8-10-20(16(3)23(18)26)30-11-5-6-12-31-21-9-7-17(24(27)28)14-22(21)29-4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.77E+3n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR3 receptor expressed in TREx293 cells by calcium mobilization assay


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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50017211
PNG
(CHEMBL3287695 | US10099993, Compound 44)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C24H30O7/c1-15(2)13-19(25)18-8-10-20(16(3)23(18)26)30-11-5-6-12-31-21-9-7-17(24(27)28)14-22(21)29-4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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US Patent
n/an/an/an/a 614n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50017211
PNG
(CHEMBL3287695 | US10099993, Compound 44)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C24H30O7/c1-15(2)13-19(25)18-8-10-20(16(3)23(18)26)30-11-5-6-12-31-21-9-7-17(24(27)28)14-22(21)29-4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 614n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR3 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