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BDBM50017286 CHEMBL3287711::US10099993, Compound 60

SMILES: CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O

InChI Key: InChIKey=RFEQZFYDZPGTDR-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50017286   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017286
PNG
(CHEMBL3287711 | US10099993, Compound 60)
Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C21H23FO6/c1-3-18(23)15-7-9-19(13(2)20(15)24)28-11-5-4-10-27-14-6-8-17(22)16(12-14)21(25)26/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
n/an/an/an/a 124n/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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50017286
PNG
(CHEMBL3287711 | US10099993, Compound 60)
Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C21H23FO6/c1-3-18(23)15-7-9-19(13(2)20(15)24)28-11-5-4-10-27-14-6-8-17(22)16(12-14)21(25)26/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
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PC sid
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US Patent
n/an/an/an/a>3.00E+4n/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 2


(Homo sapiens (Human))
BDBM50017286
PNG
(CHEMBL3287711 | US10099993, Compound 60)
Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C21H23FO6/c1-3-18(23)15-7-9-19(13(2)20(15)24)28-11-5-4-10-27-14-6-8-17(22)16(12-14)21(25)26/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 124n/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