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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


(Homo sapiens (Human))
BDBM143695
PNG
(US9682959, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Homo sapiens (Human))
BDBM143693
PNG
(US9682959, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Homo sapiens (Human))
BDBM143694
PNG
(US9682959, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Homo sapiens (Human))
BDBM143697
PNG
(US9682959, 4)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Homo sapiens (Human))
BDBM143699
PNG
(US9682959, 6)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Homo sapiens (Human))
BDBM143698
PNG
(US9682959, 5)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1
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
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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%