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PubMed code 26713098

Compile data set for download or QSAR
Found 14 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))		BDBM50158897
PNG
(CHEMBL3786105)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1=CCNCC1 |t:33|
Show InChI InChI=1S/C24H22F3N3O3S2/c25-24(26,27)16-1-3-18(21(13-16)15-5-8-28-9-6-15)19-7-11-33-22-14-17(2-4-20(19)22)35(31,32)30-23-29-10-12-34-23/h1-5,10,12-14,19,28H,6-9,11H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158896
PNG
(CHEMBL3785356)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C1=CCNCC1 |t:33|
Show InChI InChI=1S/C23H21F3N4O3S2/c24-23(25,26)15-1-3-17(20(11-15)14-5-8-27-9-6-14)18-7-10-33-21-12-16(2-4-19(18)21)35(31,32)30-22-28-13-29-34-22/h1-5,11-13,18,27H,6-10H2,(H,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158894
PNG
(CHEMBL3786756)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1(F)CNC1
Show InChI InChI=1S/C22H19F4N3O3S2/c23-21(11-27-12-21)18-9-13(22(24,25)26)1-3-16(18)15-5-7-32-19-10-14(2-4-17(15)19)34(30,31)29-20-28-6-8-33-20/h1-4,6,8-10,15,27H,5,7,11-12H2,(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158891
PNG
(CHEMBL3785194)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1O[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H17F4N3O4S2/c25-15-2-5-19(30-13-15)18-11-14(24(26,27)28)1-6-20(18)35-21-7-9-34-22-12-16(3-4-17(21)22)37(32,33)31-23-29-8-10-36-23/h1-6,8,10-13,21H,7,9H2,(H,29,31)/t21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158893
PNG
(CHEMBL3786990)
Show SMILES Cn1nccc1-c1cc(ccc1C1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O3S2/c1-30-20(6-8-28-30)19-12-14(23(24,25)26)2-4-16(19)17-7-10-33-21-13-15(3-5-18(17)21)35(31,32)29-22-27-9-11-34-22/h2-6,8-9,11-13,17H,7,10H2,1H3,(H,27,29)
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n/an/a 4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158898
PNG
(CHEMBL3785315)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF3N2O3S2/c20-16-9-11(19(21,22)23)1-3-14(16)13-5-7-28-17-10-12(2-4-15(13)17)30(26,27)25-18-24-6-8-29-18/h1-4,6,8-10,13H,5,7H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158895
PNG
(CHEMBL3787600)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nncs2)c(c1)C1=CCNCC1 |t:33|
Show InChI InChI=1S/C23H21F3N4O3S2/c24-23(25,26)15-1-3-17(20(11-15)14-5-8-27-9-6-14)18-7-10-33-21-12-16(2-4-19(18)21)35(31,32)30-22-29-28-13-34-22/h1-5,11-13,18,27H,6-10H2,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158889
PNG
(CHEMBL3786234)
Show SMILES FC(F)(F)c1ccc(O[C@@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1=CCNCC1 |r,t:34|
Show InChI InChI=1S/C24H22F3N3O4S2/c25-24(26,27)16-1-4-20(19(13-16)15-5-8-28-9-6-15)34-21-7-11-33-22-14-17(2-3-18(21)22)36(31,32)30-23-29-10-12-35-23/h1-5,10,12-14,21,28H,6-9,11H2,(H,29,30)/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158901
PNG
(CHEMBL3785584)
Show SMILES CC1(C)CC(c2ccc(cc2O1)S(=O)(=O)Nc1ncns1)c1ccc(cc1C1=CCNCC1)C(F)(F)F |t:31|
Show InChI InChI=1S/C25H25F3N4O3S2/c1-24(2)13-21(18-5-3-16(25(26,27)28)11-20(18)15-7-9-29-10-8-15)19-6-4-17(12-22(19)35-24)37(33,34)32-23-30-14-31-36-23/h3-7,11-12,14,21,29H,8-10,13H2,1-2H3,(H,30,31,32)
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n/an/a 8n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158899
PNG
(CHEMBL3787209)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C18H13ClF3N3O3S2/c19-15-7-10(18(20,21)22)1-3-13(15)12-5-6-28-16-8-11(2-4-14(12)16)30(26,27)25-17-23-9-24-29-17/h1-4,7-9,12H,5-6H2,(H,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158900
PNG
(CHEMBL3786280)
Show SMILES CC1(C)CC(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C1(F)CNC1)C(F)(F)F
Show InChI InChI=1S/C24H23F4N3O3S2/c1-22(2)11-18(16-5-3-14(24(26,27)28)9-19(16)23(25)12-29-13-23)17-6-4-15(10-20(17)34-22)36(32,33)31-21-30-7-8-35-21/h3-10,18,29H,11-13H2,1-2H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158892
PNG
(CHEMBL3786851)
Show SMILES Cn1nccc1-c1cc(ccc1O[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H19F3N4O4S2/c1-30-18(6-8-28-30)17-12-14(23(24,25)26)2-5-19(17)34-20-7-10-33-21-13-15(3-4-16(20)21)36(31,32)29-22-27-9-11-35-22/h2-6,8-9,11-13,20H,7,10H2,1H3,(H,27,29)/t20-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158902
PNG
(CHEMBL3785601)
Show SMILES CC1(C)CC(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C1=CCNCC1)C(F)(F)F |t:31|
Show InChI InChI=1S/C26H26F3N3O3S2/c1-25(2)15-22(19-5-3-17(26(27,28)29)13-21(19)16-7-9-30-10-8-16)20-6-4-18(14-23(20)35-25)37(33,34)32-24-31-11-12-36-24/h3-7,11-14,22,30H,8-10,15H2,1-2H3,(H,31,32)
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n/an/a 13n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50158890
PNG
(CHEMBL3787058)
Show SMILES CC[C@@H]1C[C@@H](Oc2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc2O1)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C25H23F3N4O4S2/c1-3-16-13-22(18-6-5-17(14-23(18)35-16)38(33,34)31-24-29-10-11-37-24)36-21-7-4-15(25(26,27)28)12-19(21)20-8-9-30-32(20)2/h4-12,14,16,22H,3,13H2,1-2H3,(H,29,31)/t16-,22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...

ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%