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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.4
BDBM393811

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   
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


(Rattus norvegicus)
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Universita degli Studi di Roma La Sapienza



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 (...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2RX9FDX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.30E+3n/an/an/an/a



Universita degli Studi di Roma La Sapienza



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 (...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2RX9FDX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.83E+3n/an/an/an/a



Universita degli Studi di Roma La Sapienza



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 (...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2RX9FDX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.48E+3n/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY 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 US10597367 (2020)


BindingDB Entry DOI: 10.7270/Q2GB272Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY 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 US10597367 (2020)


BindingDB Entry DOI: 10.7270/Q2GB272Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.30E+3n/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY 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 US10597367 (2020)


BindingDB Entry DOI: 10.7270/Q2GB272Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.83E+3n/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY 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 US10597367 (2020)


BindingDB Entry DOI: 10.7270/Q2GB272Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM393811
PNG
(US10597367, Example 99 | US9969726, Example 99)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O4/c1-35-21-9-7-16(12-22(21)36-2)20-13-23(26(28,29)30)32-24(31-20)17-5-3-4-14(10-17)15-6-8-19(27)18(11-15)25(33)34/h3-13H,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.48E+3n/an/an/an/a



Universita degli Studi di Roma La Sapienza



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 (...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2RX9FDX
More data for this
Ligand-Target Pair