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Patent code US9388137

Compile Data Set for Download or QSAR
Found 9 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))
BDBM236497
PNG
(US9388137, 1)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C27H30FN3O2/c1-20-18-22(27(32)29-14-17-31(2)15-4-3-5-16-31)19-26(30-20)21-6-10-24(11-7-21)33-25-12-8-23(28)9-13-25/h6-13,18-19H,3-5,14-17H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.03E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously pe...


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


(Homo sapiens (Human))
BDBM236497
PNG
(US9388137, 1)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCC[N+]1(C)CCCCC1
Show InChI InChI=1S/C27H30FN3O2/c1-20-18-22(27(32)29-14-17-31(2)15-4-3-5-16-31)19-26(30-20)21-6-10-24(11-7-21)33-25-12-8-23(28)9-13-25/h6-13,18-19H,3-5,14-17H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 872n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236498
PNG
(US9388137, 2)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCC[N+]1(C)CCOCC1
Show InChI InChI=1S/C26H28FN3O3/c1-19-17-21(26(31)28-11-12-30(2)13-15-32-16-14-30)18-25(29-19)20-3-7-23(8-4-20)33-24-9-5-22(27)6-10-24/h3-10,17-18H,11-16H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.88E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236501
PNG
(US9388137, 5)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCC[N+]1(C)CCCC1
Show InChI InChI=1S/C26H28FN3O2/c1-19-17-21(26(31)28-13-16-30(2)14-3-4-15-30)18-25(29-19)20-5-9-23(10-6-20)32-24-11-7-22(27)8-12-24/h5-12,17-18H,3-4,13-16H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236500
PNG
(US9388137, 4)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C29H28FN3O2/c1-20-17-23(29(34)31-19-21-5-11-25(12-6-21)33(2,3)4)18-28(32-20)22-7-13-26(14-8-22)35-27-15-9-24(30)10-16-27/h5-18H,19H2,1-4H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.99E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236502
PNG
(US9388137, 6)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCC[N+](C)(C)C
Show InChI InChI=1S/C24H26FN3O2/c1-17-15-19(24(29)26-13-14-28(2,3)4)16-23(27-17)18-5-9-21(10-6-18)30-22-11-7-20(25)8-12-22/h5-12,15-16H,13-14H2,1-4H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.52E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236504
PNG
(US9388137, 8)
Show SMILES CN(C1CC[N+](C)(C)CC1)C(=O)c1cc(C)nc(c1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H31FN3O2/c1-19-17-21(27(32)30(2)23-13-15-31(3,4)16-14-23)18-26(29-19)20-5-9-24(10-6-20)33-25-11-7-22(28)8-12-25/h5-12,17-18,23H,13-16H2,1-4H3/q+1
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
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236499
PNG
(US9388137, 3)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCC(CC1)[N+]1(C)CCCC1
Show InChI InChI=1S/C29H33FN3O2/c1-21-19-23(29(34)32-15-13-25(14-16-32)33(2)17-3-4-18-33)20-28(31-21)22-5-9-26(10-6-22)35-27-11-7-24(30)8-12-27/h5-12,19-20,25H,3-4,13-18H2,1-2H3/q+1
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
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 of 10 HBSS t...


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


(Homo sapiens (Human))
BDBM236503
PNG
(US9388137, 7)
Show SMILES Cc1cc(cc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C25H27FN3O2/c1-18-16-20(25(30)28-12-14-29(2,3)15-13-28)17-24(27-18)19-4-8-22(9-5-19)31-23-10-6-21(26)7-11-23/h4-11,16-17H,12-15H2,1-3H3/q+1
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
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 of 10 HBSS t...


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