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PubMed code 15878274

Compile data set for download or QSAR
Found 33 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))		BDBM50166790
PNG
(CHEMBL364912 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3
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 140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel electrophysiology in inactivated state expressed in HEK293 cells using Voltage/Ion Probe Re...

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
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 160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel electrophysiology in inactivated state expressed in HEK293 cells using Voltage/Ion Probe Re...

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50166785
PNG
(1-{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-ben...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2CN2CCCCCCC2)cs1
Show InChI InChI=1S/C24H27ClN2OS/c25-21-12-10-19(11-13-21)24-26-22(18-29-24)17-28-23-9-5-4-8-20(23)16-27-14-6-2-1-3-7-15-27/h4-5,8-13,18H,1-3,6-7,14-17H2
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50166788
PNG
(1-{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-m...)
Show SMILES COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN2O2S/c1-29-23-9-7-8-20(16-28-14-5-3-2-4-6-15-28)24(23)30-17-22-18-31-25(27-22)19-10-12-21(26)13-11-19/h7-13,18H,2-6,14-17H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50166802
PNG
(1-[3-Methoxy-2-(2-phenyl-thiazol-4-ylmethoxy)-benz...)
Show SMILES COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O2S/c1-28-23-14-10-13-21(17-27-15-8-3-2-4-9-16-27)24(23)29-18-22-19-30-25(26-22)20-11-6-5-7-12-20/h5-7,10-14,19H,2-4,8-9,15-18H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166795
PNG
(CHEMBL196036 | [2-([2,2']Bithiophenyl-5-ylmethoxy)...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C21H21NO3S2/c1-24-17-7-4-6-16(21(23)22-11-2-3-12-22)20(17)25-14-15-9-10-19(27-15)18-8-5-13-26-18/h4-10,13H,2-3,11-12,14H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166801
PNG
(CHEMBL196703 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Cc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O2S/c1-15-5-4-6-19(22(26)25-11-2-3-12-25)20(15)27-13-18-14-28-21(24-18)16-7-9-17(23)10-8-16/h4-10,14H,2-3,11-13H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166782
PNG
(CHEMBL363582 | {3-Chloro-2-[2-(4-chloro-phenyl)-th...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2c(Cl)cccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H18Cl2N2O2S/c22-15-8-6-14(7-9-15)20-24-16(13-28-20)12-27-19-17(4-3-5-18(19)23)21(26)25-10-1-2-11-25/h3-9,13H,1-2,10-12H2
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n/an/a 730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166786
PNG
(CHEMBL196392 | {2-[3-(4-Chloro-phenyl)-[1,2,4]oxad...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O4/c1-27-17-6-4-5-16(21(26)25-11-2-3-12-25)19(17)28-13-18-23-20(24-29-18)14-7-9-15(22)10-8-14/h4-10H,2-3,11-13H2,1H3
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166790
PNG
(CHEMBL364912 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166793
PNG
((2-{1-[2-(4-Chloro-phenyl)-thiazol-4-yl]-ethoxy}-3...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OC(C)c1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O3S/c1-15(19-14-30-22(25-19)16-8-10-17(24)11-9-16)29-21-18(6-5-7-20(21)28-2)23(27)26-12-3-4-13-26/h5-11,14-15H,3-4,12-13H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166785
PNG
(1-{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-ben...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2CN2CCCCCCC2)cs1
Show InChI InChI=1S/C24H27ClN2OS/c25-21-12-10-19(11-13-21)24-26-22(18-29-24)17-28-23-9-5-4-8-20(23)16-27-14-6-2-1-3-7-15-27/h4-5,8-13,18H,1-3,6-7,14-17H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166797
PNG
(CHEMBL196345 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES COc1cccc(C(=O)N2CCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O3S/c1-28-20-7-5-6-19(23(27)26-12-3-2-4-13-26)21(20)29-14-18-15-30-22(25-18)16-8-10-17(24)11-9-16/h5-11,15H,2-4,12-14H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166788
PNG
(1-{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-m...)
Show SMILES COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN2O2S/c1-29-23-9-7-8-20(16-28-14-5-3-2-4-6-15-28)24(23)30-17-22-18-31-25(27-22)19-10-12-21(26)13-11-19/h7-13,18H,2-6,14-17H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166791
PNG
(CHEMBL197052 | [2-(Biphenyl-4-ylmethoxy)-3-methoxy...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-28-23-11-7-10-22(25(27)26-16-5-6-17-26)24(23)29-18-19-12-14-21(15-13-19)20-8-3-2-4-9-20/h2-4,7-15H,5-6,16-18H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166802
PNG
(1-[3-Methoxy-2-(2-phenyl-thiazol-4-ylmethoxy)-benz...)
Show SMILES COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O2S/c1-28-23-14-10-13-21(17-27-15-8-3-2-4-9-16-27)24(23)29-18-22-19-30-25(26-22)20-11-6-5-7-12-20/h5-7,10-14,19H,2-4,8-9,15-18H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166805
PNG
(Azepan-1-yl-{2-[2-(4-chloro-phenyl)-thiazol-4-ylme...)
Show SMILES COc1cccc(C(=O)N2CCCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2O3S/c1-29-21-8-6-7-20(24(28)27-13-4-2-3-5-14-27)22(21)30-15-19-16-31-23(26-19)17-9-11-18(25)12-10-17/h6-12,16H,2-5,13-15H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166803
PNG
(CHEMBL371052 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES CCOc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O3S/c1-2-28-20-7-5-6-19(23(27)26-12-3-4-13-26)21(20)29-14-18-15-30-22(25-18)16-8-10-17(24)11-9-16/h5-11,15H,2-4,12-14H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166799
PNG
(CHEMBL372292 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCCC2)cs1
Show InChI InChI=1S/C22H21ClN2O2S/c23-17-10-8-16(9-11-17)21-24-18(15-28-21)14-27-20-7-3-2-6-19(20)22(26)25-12-4-1-5-13-25/h2-3,6-11,15H,1,4-5,12-14H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166783
PNG
(CHEMBL372614 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES CC(C)Oc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2O3S/c1-16(2)30-21-7-5-6-20(24(28)27-12-3-4-13-27)22(21)29-14-19-15-31-23(26-19)17-8-10-18(25)11-9-17/h5-11,15-16H,3-4,12-14H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50166790
PNG
(CHEMBL364912 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
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n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against diplacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166804
PNG
(Azocan-1-yl-{2-[2-(4-chloro-phenyl)-thiazol-4-ylme...)
Show SMILES COc1cccc(C(=O)N2CCCCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-30-22-9-7-8-21(25(29)28-14-5-3-2-4-6-15-28)23(22)31-16-20-17-32-24(27-20)18-10-12-19(26)13-11-18/h7-13,17H,2-6,14-16H2,1H3
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n/an/a 1.94E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166792
PNG
(CHEMBL193449 | [3-Methoxy-2-(3-phenyl-propoxy)-phe...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCCCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-24-19-13-7-12-18(21(23)22-14-5-6-15-22)20(19)25-16-8-11-17-9-3-2-4-10-17/h2-4,7,9-10,12-13H,5-6,8,11,14-16H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166794
PNG
(CHEMBL372177 | {3-tert-Butoxy-2-[2-(4-chloro-pheny...)
Show SMILES CC(C)(C)Oc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-25(2,3)31-21-8-6-7-20(24(29)28-13-4-5-14-28)22(21)30-15-19-16-32-23(27-19)17-9-11-18(26)12-10-17/h6-12,16H,4-5,13-15H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166806
PNG
(Azocan-1-yl-{2-[2-(4-chloro-phenyl)-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCCCCC2)cs1
Show InChI InChI=1S/C24H25ClN2O2S/c25-19-12-10-18(11-13-19)23-26-20(17-30-23)16-29-22-9-5-4-8-21(22)24(28)27-14-6-2-1-3-7-15-27/h4-5,8-13,17H,1-3,6-7,14-16H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166800
PNG
(CHEMBL371314 | [3-Methoxy-2-(1-phenyl-ethoxy)-phen...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OC(C)c1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-15(16-9-4-3-5-10-16)24-19-17(11-8-12-18(19)23-2)20(22)21-13-6-7-14-21/h3-5,8-12,15H,6-7,13-14H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166784
PNG
(CHEMBL191351 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Oc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O3S/c22-15-8-6-14(7-9-15)20-23-16(13-28-20)12-27-19-17(4-3-5-18(19)25)21(26)24-10-1-2-11-24/h3-9,13,25H,1-2,10-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166796
PNG
((3-Methoxy-2-phenethyloxy-phenyl)-pyrrolidin-1-yl-...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCCc1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-23-18-11-7-10-17(20(22)21-13-5-6-14-21)19(18)24-15-12-16-8-3-2-4-9-16/h2-4,7-11H,5-6,12-15H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166789
PNG
(Azepan-1-yl-{2-[2-(4-chloro-phenyl)-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCCCC2)cs1
Show InChI InChI=1S/C23H23ClN2O2S/c24-18-11-9-17(10-12-18)22-25-19(16-29-22)15-28-21-8-4-3-7-20(21)23(27)26-13-5-1-2-6-14-26/h3-4,7-12,16H,1-2,5-6,13-15H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50166798
PNG
(CHEMBL194491 | [2-(4-tert-Butyl-benzyloxy)-3-metho...)
Show SMILES COc1cccc(C(=O)N2CCCC2)c1OCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H29NO3/c1-23(2,3)18-12-10-17(11-13-18)16-27-21-19(8-7-9-20(21)26-4)22(25)24-14-5-6-15-24/h7-13H,5-6,14-16H2,1-4H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay

Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%