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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.3
BDBM393877

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

Found 4 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)
BDBM393877
PNG
(US10597367, Example 173B | US9969726, Example 173B)
Show SMILES Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Show InChI InChI=1S/C23H18BrF3N2O2/c1-13-8-20-21(11-18(13)23(25,26)27)29-22(30)12-19(28-20)14-4-2-6-16(9-14)31-17-7-3-5-15(24)10-17/h2-11,19,28H,12H2,1H3,(H,29,30)
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 5


(Rattus norvegicus (Rat))
BDBM393877
PNG
(US10597367, Example 173B | US9969726, Example 173B)
Show SMILES Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Show InChI InChI=1S/C23H18BrF3N2O2/c1-13-8-20-21(11-18(13)23(25,26)27)29-22(30)12-19(28-20)14-4-2-6-16(9-14)31-17-7-3-5-15(24)10-17/h2-11,19,28H,12H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.25E+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)
BDBM393877
PNG
(US10597367, Example 173B | US9969726, Example 173B)
Show SMILES Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Show InChI InChI=1S/C23H18BrF3N2O2/c1-13-8-20-21(11-18(13)23(25,26)27)29-22(30)12-19(28-20)14-4-2-6-16(9-14)31-17-7-3-5-15(24)10-17/h2-11,19,28H,12H2,1H3,(H,29,30)
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 3


(Rattus norvegicus (Rat))
BDBM393877
PNG
(US10597367, Example 173B | US9969726, Example 173B)
Show SMILES Cc1cc2NC(CC(=O)Nc2cc1C(F)(F)F)c1cccc(Oc2cccc(Br)c2)c1 |w:5.18|
Show InChI InChI=1S/C23H18BrF3N2O2/c1-13-8-20-21(11-18(13)23(25,26)27)29-22(30)12-19(28-20)14-4-2-6-16(9-14)31-17-7-3-5-15(24)10-17/h2-11,19,28H,12H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.25E+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