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BDBM50017270 CHEMBL3287725::US10099993, Compound 74

SMILES: Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C

InChI Key: InChIKey=AXCUOQYTJKESER-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50017270   
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 3


(Rattus norvegicus (Rat))
BDBM50017270
PNG
(CHEMBL3287725 | US10099993, Compound 74)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C25H32O6/c1-16-18(24(28)29)9-8-10-21(16)30-13-6-7-14-31-22-12-11-19(23(27)17(22)2)20(26)15-25(3,4)5/h8-12,27H,6-7,13-15H2,1-5H3,(H,28,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 300n/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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50017270
PNG
(CHEMBL3287725 | US10099993, Compound 74)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C25H32O6/c1-16-18(24(28)29)9-8-10-21(16)30-13-6-7-14-31-22-12-11-19(23(27)17(22)2)20(26)15-25(3,4)5/h8-12,27H,6-7,13-15H2,1-5H3,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC sid
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US Patent
n/an/an/an/a 300n/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))
BDBM50017270
PNG
(CHEMBL3287725 | US10099993, Compound 74)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C25H32O6/c1-16-18(24(28)29)9-8-10-21(16)30-13-6-7-14-31-22-12-11-19(23(27)17(22)2)20(26)15-25(3,4)5/h8-12,27H,6-7,13-15H2,1-5H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 136n/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))
BDBM50017270
PNG
(CHEMBL3287725 | US10099993, Compound 74)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C25H32O6/c1-16-18(24(28)29)9-8-10-21(16)30-13-6-7-14-31-22-12-11-19(23(27)17(22)2)20(26)15-25(3,4)5/h8-12,27H,6-7,13-15H2,1-5H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 136n/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