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BDBM393801 US10597367, Example 89::US9969726, Example 89

SMILES: OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1

InChI Key: InChIKey=PVNUCWDAUWMGSN-UHFFFAOYSA-N

Data: 8 EC50

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 = 393801   
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)
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.24E+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)
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 140n/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))
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.25E+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
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 250n/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)
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.24E+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)
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 140n/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


(Rattus norvegicus (Rat))
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.25E+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)

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


(Rattus norvegicus (Rat))
BDBM393801
PNG
(US10597367, Example 89 | US9969726, Example 89)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1cccc(c1)-c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-9-14(8-15(10-16)21(29)30)12-3-1-4-13(7-12)20-27-17(18-5-2-6-31-18)11-19(28-20)22(24,25)26/h1-11H,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 250n/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