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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Monomerid = 50273942   
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 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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PubMed
2n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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PubMed
3.90n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Mus musculus)
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair