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Patent code US9718780

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))
BDBM264714
PNG
((R)-1-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-...)
Show SMILES OC[C@@H](O)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H16FNO4/c21-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)17-2-1-3-18(22-17)20(25)19(24)12-23/h1-11,19,23-24H,12H2/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 133n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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


(Homo sapiens (Human))
BDBM264717
PNG
((R)-2,3-dihydroxy-1-(6-(4-(4- | US9718780, 4)
Show SMILES OC[C@@H](O)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3NO4/c22-21(23,24)14-6-10-16(11-7-14)29-15-8-4-13(5-9-15)17-2-1-3-18(25-17)20(28)19(27)12-26/h1-11,19,26-27H,12H2/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 136n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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


(Homo sapiens (Human))
BDBM264718
PNG
((R)-4-(4-(6-(2,3-dihydroxypropanoyl)pyridin-2- | U...)
Show SMILES OC[C@@H](O)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C21H16N2O4/c22-12-14-4-8-16(9-5-14)27-17-10-6-15(7-11-17)18-2-1-3-19(23-18)21(26)20(25)13-24/h1-11,20,24-25H,13H2/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 149n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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


(Homo sapiens (Human))
BDBM264715
PNG
((R)-4-(4-(6-(2,3-dihydroxypropanoyl)pyridin-2- | U...)
Show SMILES OC[C@@H](O)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15F3N2O4/c23-22(24,25)17-10-16(9-6-14(17)11-26)31-15-7-4-13(5-8-15)18-2-1-3-19(27-18)21(30)20(29)12-28/h1-10,20,28-29H,12H2/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 365n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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


(Homo sapiens (Human))
BDBM264716
PNG
((R)-5-(4-(6-(2,3-dihydroxypropanoyl)pyridin-2- | U...)
Show SMILES OC[C@@H](O)C(=O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15F3N2O4/c23-22(24,25)17-9-8-16(10-14(17)11-26)31-15-6-4-13(5-7-15)18-2-1-3-19(27-18)21(30)20(29)12-28/h1-10,20,28-29H,12H2/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 402n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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


(Homo sapiens (Human))
BDBM264719
PNG
(2-(6-(4-(3-cyano-4- | US9718780, 6)
Show SMILES NC(=O)C(O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F3N3O3/c22-21(23,24)16-9-8-15(10-13(16)11-25)30-14-6-4-12(5-7-14)17-2-1-3-18(27-17)19(28)20(26)29/h1-10,19,28H,(H2,26,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
PubMed
n/an/a 722n/an/an/an/an/an/a



TBA

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


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