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Patent code US9682959

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 5


(Homo sapiens (Human))		BDBM143695
PNG
(US9682959, 3 | US9751856, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C19H16ClN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
 16n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM143693
PNG
(US9682959, 1 | US9751856, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C19H16FN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 18n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C19H17N3O/c1-19(2)18(23)22(3)17(21-19)16-12-11-15(13-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-13H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 38n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM143697
PNG
(US9682959, 4 | US9751856, 4)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C18H15ClN4O/c1-18(2)17(24)23(3)16(22-18)15-20-10-13(11-21-15)8-7-12-5-4-6-14(19)9-12/h4-6,9-11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 80n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM143699
PNG
(US9682959, 6 | US9751856, 6)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C18H15FN4O/c1-18(2)17(24)23(3)16(22-18)15-20-10-13(11-21-15)8-7-12-5-4-6-14(19)9-12/h4-6,9-11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 280n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM143698
PNG
(US9682959, 5 | US9751856, 5)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C18H16N4O/c1-18(2)17(23)22(3)16(21-18)15-19-11-14(12-20-15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 281n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...

US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%