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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.6
BDBM393902

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)
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.70E+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 2


(Rattus norvegicus)
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.27E+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))
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.82E+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))
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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)
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.70E+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)
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.27E+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))
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.82E+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))
BDBM393902
PNG
(US10597367, Example 199 | US9969726, Example 199)
Show SMILES Clc1cc(ccn1)C1=Nc2ccc(cc2NC(=O)C1)-c1ccc(Br)nc1 |t:8|
Show InChI InChI=1S/C19H12BrClN4O/c20-17-4-2-13(10-23-17)11-1-3-14-16(7-11)25-19(26)9-15(24-14)12-5-6-22-18(21)8-12/h1-8,10H,9H2,(H,25,26)
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