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Patent code US9828348

Compile Data Set for Download or QSAR
Found 10 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))		BDBM360329
PNG
(US9828348, Compound 17 | US9975858, Compound 17)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c(CCN3CCCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C26H26FN3O/c27-20-8-12-22(13-9-20)31-23-14-10-21(11-15-23)30-25-7-3-2-6-24(25)28-26(30)16-19-29-17-4-1-5-18-29/h2-3,6-15H,1,4-5,16-19H2
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n/an/a 81n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360324
PNG
(US9828348, Compound 11 | US9975858, Compound 11)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c(nc3ccccc23)-c2c[nH]cn2)cc1
Show InChI InChI=1S/C22H15FN4O/c23-15-5-9-17(10-6-15)28-18-11-7-16(8-12-18)27-21-4-2-1-3-19(21)26-22(27)20-13-24-14-25-20/h1-14H,(H,24,25)
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n/an/a 102n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360323
PNG
(US9828348, Compound 10 | US9975858, Compound 10)
Show SMILES Cn1cc(Cl)c(n1)-c1nc2ccccc2n1-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H16ClFN4O/c1-28-14-19(24)22(27-28)23-26-20-4-2-3-5-21(20)29(23)16-8-12-18(13-9-16)30-17-10-6-15(25)7-11-17/h2-14H,1H3
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n/an/a 313n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360331
PNG
(US9828348, Compound 24 | US9975858, Compound 24)
Show SMILES CCN(CC)C(=O)CN1CCC(CC1)c1nc2ccccc2n1-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33FN4O2/c1-3-34(4-2)29(36)21-33-19-17-22(18-20-33)30-32-27-7-5-6-8-28(27)35(30)24-11-15-26(16-12-24)37-25-13-9-23(31)10-14-25/h5-16,22H,3-4,17-21H2,1-2H3
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n/an/a 516n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360325
PNG
(US9828348, Compound 14 | US9975858, Compound 14)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c(nc3ccccc23)[C@@H]2CCC(=O)N2)cc1
Show InChI InChI=1S/C23H18FN3O2/c24-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)27-21-4-2-1-3-19(21)26-23(27)20-13-14-22(28)25-20/h1-12,20H,13-14H2,(H,25,28)/t20-/m0/s1
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n/an/a 571n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360322
PNG
(1-(4-(4-fluorophenoxy)phenyl)-2- (tetrahydro-2H-py...)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c(nc3ccccc23)C2CCOCC2)cc1
Show InChI InChI=1S/C24H21FN2O2/c25-18-5-9-20(10-6-18)29-21-11-7-19(8-12-21)27-23-4-2-1-3-22(23)26-24(27)17-13-15-28-16-14-17/h1-12,17H,13-16H2
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n/an/a 630n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360328
PNG
(US9828348, Compound 16 | US9975858, Compound 16)
Show SMILES Cc1nnc(Cc2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1
Show InChI InChI=1S/C23H18FN5O/c1-15-25-22(28-27-15)14-23-26-20-4-2-3-5-21(20)29(23)17-8-12-19(13-9-17)30-18-10-6-16(24)7-11-18/h2-13H,14H2,1H3,(H,25,27,28)
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n/an/a 957n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360333
PNG
(US9828348, Compound 25 | US9975858, Compound 25)
Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FN4O2/c26-17-7-11-19(12-8-17)32-20-13-9-18(10-14-20)30-22-5-2-1-4-21(22)28-25(30)23-6-3-15-29(23)16-24(27)31/h1-2,4-5,7-14,23H,3,6,15-16H2,(H2,27,31)/t23-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360332
PNG
(US9828348, Compound 23 | US9975858, Compound 23)
Show SMILES NC(=O)CN1CCC(CC1)c1nc2ccccc2n1-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN4O2/c27-19-5-9-21(10-6-19)33-22-11-7-20(8-12-22)31-24-4-2-1-3-23(24)29-26(31)18-13-15-30(16-14-18)17-25(28)32/h1-12,18H,13-17H2,(H2,28,32)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM360330
PNG
(US9828348, Compound 15 | US9975858, Compound 15)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c(Cc3nnn[nH]3)nc3ccccc23)cc1
Show InChI InChI=1S/C21H15FN6O/c22-14-5-9-16(10-6-14)29-17-11-7-15(8-12-17)28-19-4-2-1-3-18(19)23-21(28)13-20-24-26-27-25-20/h1-12H,13H2,(H,24,25,26,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...

US Patent US9828348 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QSF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%