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Patent code US9714252

Compile Data Set for Download or QSAR
Found 7 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))
BDBM264469
PNG
(6-(3H-spiro[isobenzofuran-1,4'-piperidin]-1'-yl)-2...)
Show SMILES O=S1(=O)N(CCc2cc(ccc12)N1CCC2(CC1)OCc1ccccc21)c1nccs1
Show InChI InChI=1S/C23H23N3O3S2/c27-31(28)21-6-5-19(15-17(21)7-11-26(31)22-24-10-14-30-22)25-12-8-23(9-13-25)20-4-2-1-3-18(20)16-29-23/h1-6,10,14-15H,7-9,11-13,16H2
PDB

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PubMed
n/an/a 766n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264468
PNG
(5-(3H-spiro[isobenzofuran-1,4'-piperidin]-1'-yl)-2...)
Show SMILES O=S1(=O)N(Cc2cc(ccc12)N1CCC2(CC1)OCc1ccccc21)c1nccs1
Show InChI InChI=1S/C22H21N3O3S2/c26-30(27)20-6-5-18(13-17(20)14-25(30)21-23-9-12-29-21)24-10-7-22(8-11-24)19-4-2-1-3-16(19)15-28-22/h1-6,9,12-13H,7-8,10-11,14-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264470
PNG
(6-([1,1'-biphenyl]-2-yloxy)-2-(thiazol-2-yl)-3,4-d...)
Show SMILES O=S1(=O)N(CCc2cc(Oc3ccccc3-c3ccccc3)ccc12)c1nccs1
Show InChI InChI=1S/C23H18N2O3S2/c26-30(27)22-11-10-19(16-18(22)12-14-25(30)23-24-13-15-29-23)28-21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-11,13,15-16H,12,14H2
PDB

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UniProtKB/SwissProt

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DrugBank
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UniChem
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264465
PNG
(5-(2-(pyridazin-4-yl)-4-(trifluoromethyl)phenoxy)-...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3c(CN(c4nccs4)S3(=O)=O)c2)c(c1)-c1ccnnc1
Show InChI InChI=1S/C21H13F3N4O3S2/c22-21(23,24)15-1-3-18(17(10-15)13-5-6-26-27-11-13)31-16-2-4-19-14(9-16)12-28(33(19,29)30)20-25-7-8-32-20/h1-11H,12H2
PDB

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UniProtKB/SwissProt

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PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264471
PNG
(2-(thiazol-2-yl)-6-(4-(4-(trifluoromethyl)phenoxy)...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)-c2ccc3c(CCN(c4nccs4)S3(=O)=O)c2)cc1
Show InChI InChI=1S/C24H17F3N2O3S2/c25-24(26,27)19-4-8-21(9-5-19)32-20-6-1-16(2-7-20)17-3-10-22-18(15-17)11-13-29(34(22,30)31)23-28-12-14-33-23/h1-10,12,14-15H,11,13H2
PDB

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UniProtKB/SwissProt

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PubMed
n/an/a 7.09E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264467
PNG
(5-(4-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-2...)
Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1ccc2c(CN(c3nccs3)S2(=O)=O)c1
Show InChI InChI=1S/C20H15ClN4O3S2/c1-24-17(6-7-23-24)16-11-14(21)2-4-18(16)28-15-3-5-19-13(10-15)12-25(30(19,26)27)20-22-8-9-29-20/h2-11H,12H2,1H3
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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UniChem
Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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


(Homo sapiens (Human))
BDBM264466
PNG
(5-([1,1'-biphenyl]-2-yloxy)-2-(thiazol-2-yl)-2,3-d...)
Show SMILES O=S1(=O)N(Cc2cc(Oc3ccccc3-c3ccccc3)ccc12)c1nccs1
Show InChI InChI=1S/C22H16N2O3S2/c25-29(26)21-11-10-18(14-17(21)15-24(29)22-23-12-13-28-22)27-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-14H,15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking...


US Patent US9714252 (2017)

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