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SMILES: Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=JJQSLHGNEDQXAV-UHFFFAOYSA-N

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 8 hits for monomerid = 393882   
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 2


(Rattus norvegicus)
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.74E+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)
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/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))
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.37E+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))
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 100n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.74E+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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.37E+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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM393882
PNG
(US10597367, Example 179 | US9969726, Example 179)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1cccnc1 |c:5|
Show InChI InChI=1S/C20H14BrN3O/c21-16-6-7-17-19(10-16)24-20(25)11-18(23-17)14-4-1-3-13(9-14)15-5-2-8-22-12-15/h1-10,12H,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 100n/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