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Patent code US9340504

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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229601
PNG
(US9340504, 15)
Show SMILES CN(C)c1ncc(cn1)-c1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C25H22F3N5O/c1-33(2)24-30-14-19(15-31-24)21-8-4-3-6-17(21)12-20-7-5-9-22(32-20)18-10-11-23(29-13-18)34-16-25(26,27)28/h3-11,13-15H,12,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229599
PNG
(US9340504, 13)
Show SMILES COc1ncc(cn1)-c1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H19F3N4O2/c1-32-23-29-13-18(14-30-23)20-7-3-2-5-16(20)11-19-6-4-8-21(31-19)17-9-10-22(28-12-17)33-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 849n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229600
PNG
(US9340504, 14)
Show SMILES CSc1ncc(cn1)-c1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H19F3N4OS/c1-33-23-29-13-18(14-30-23)20-7-3-2-5-16(20)11-19-6-4-8-21(31-19)17-9-10-22(28-12-17)32-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 947n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229598
PNG
(US9340504, 12)
Show SMILES Fc1ccc(cn1)-c1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H17F4N3O/c25-22-10-8-17(13-29-22)20-6-2-1-4-16(20)12-19-5-3-7-21(31-19)18-9-11-23(30-14-18)32-15-24(26,27)28/h1-11,13-14H,12,15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229596
PNG
(US9340504, 8)
Show SMILES Oc1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C19H15F3N2O2/c20-19(21,22)12-26-18-9-8-14(11-23-18)16-6-3-5-15(24-16)10-13-4-1-2-7-17(13)25/h1-9,11,25H,10,12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229597
PNG
(US9340504, 11)
Show SMILES COc1ncccc1-c1ccccc1Cc1cccc(n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C25H20F3N3O2/c1-32-24-21(9-5-13-29-24)20-8-3-2-6-17(20)14-19-7-4-10-22(31-19)18-11-12-23(30-15-18)33-16-25(26,27)28/h2-13,15H,14,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


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