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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'barnaby' and Initial = 'o'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in adult mouse DRG neurons assessed as inhibition of fast-inactivating TTX-sensitive sodium currents


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261096
PNG
(CHEMBL4075332 | US10836758, Example 73)
Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261088
PNG
(CHEMBL4094490 | US10836758, Example 72)
Show SMILES Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-3-11-2-1-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261090
PNG
(CHEMBL4102624)
Show SMILES Fc1cc(NCC2CCCC(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H17ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-4-5-25-16)13(18)8-14(12)20-9-10-2-1-3-11(22)6-10/h4-5,7-8,10,20H,1-3,6,9H2,(H,19,21)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.7 inactivated state form expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophys...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261075
PNG
(CHEMBL4087220 | US10836758, Example 7)
Show SMILES Fc1cc(NCC2COCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O4S2/c15-10-5-13(25(20,21)19-14-17-1-4-24-14)11(16)6-12(10)18-7-9-8-22-2-3-23-9/h1,4-6,9,18H,2-3,7-8H2,(H,17,19)
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n/an/a 74n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261140
PNG
(CHEMBL4102233)
Show SMILES Fc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H21ClFN3O3S2/c22-16-11-19(31(27,28)26-21-24-8-10-30-21)17(23)12-18(16)25-13-15-7-4-9-29-20(15)14-5-2-1-3-6-14/h1-3,5-6,8,10-12,15,20,25H,4,7,9,13H2,(H,24,26)/t15-,20-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.7 inactivated state form expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophys...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261141
PNG
(CHEMBL4100176)
Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1
Show InChI InChI=1S/C17H20ClFN4O3S2/c1-26-22-12-4-2-11(3-5-12)10-21-15-9-14(19)16(8-13(15)18)28(24,25)23-17-20-6-7-27-17/h6-9,11,21H,2-5,10H2,1H3,(H,20,23)/b22-12-
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n/an/a 94n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261097
PNG
(CHEMBL4104727)
Show SMILES [H][C@@]12OCC[C@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCO2 |r,wU:5.6,1.0,(5.91,-10.76,;5.92,-12.31,;7.27,-11.85,;8.24,-13.05,;7.4,-14.34,;5.92,-13.94,;5.91,-15.48,;7.25,-16.25,;8.58,-15.48,;8.58,-13.94,;9.91,-13.17,;9.91,-11.63,;11.25,-13.93,;11.25,-15.48,;9.92,-16.25,;9.92,-17.79,;12.58,-13.15,;11.8,-11.81,;13.35,-11.81,;13.91,-13.92,;15.25,-13.15,;16.65,-13.77,;17.68,-12.62,;16.9,-11.29,;15.4,-11.62,;4.48,-14.49,;3.51,-13.29,;4.35,-12,)|
Show InChI InChI=1S/C16H17ClFN3O4S2/c17-10-7-13(27(22,23)21-15-19-3-6-26-15)11(18)8-12(10)20-9-16-1-4-24-14(16)25-5-2-16/h3,6-8,14,20H,1-2,4-5,9H2,(H,19,21)/t14-,16+
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n/an/a 108n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261129
PNG
(CHEMBL4064762 | US10836758, Example 71)
Show SMILES Fc1cc(NCCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-9-15(26(22,23)21-16-20-5-8-25-16)13(18)10-14(12)19-4-1-11-2-6-24-7-3-11/h5,8-11,19H,1-4,6-7H2,(H,20,21)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261137
PNG
(CHEMBL4102647 | US10836758, Example 11)
Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)
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n/an/a 127n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261122
PNG
(CHEMBL4073353 | US10836758, Example 37)
Show SMILES Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-1-2-11-3-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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n/an/a 133n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261092
PNG
(CHEMBL4073324)
Show SMILES Fc1cc(NCC2CCC(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H17ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10,20H,1-4,9H2,(H,19,21)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261147
PNG
(CHEMBL4094879)
Show SMILES O[C@@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-4-5-25-16)13(18)8-14(12)20-9-10-2-1-3-11(22)6-10/h4-5,7-8,10-11,20,22H,1-3,6,9H2,(H,19,21)/t10-,11+/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261139
PNG
(CHEMBL4064295)
Show SMILES CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C19H25ClFN3O3S2/c1-19(2,3)17-12(5-4-7-27-17)11-23-15-10-14(21)16(9-13(15)20)29(25,26)24-18-22-6-8-28-18/h6,8-10,12,17,23H,4-5,7,11H2,1-3H3,(H,22,24)/t12-,17+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261094
PNG
(CHEMBL4092435)
Show SMILES O[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,wD:1.0,(42.45,-33.72,;43.79,-32.96,;45.12,-33.73,;46.46,-32.97,;46.45,-31.43,;47.79,-30.66,;47.79,-29.12,;49.12,-28.35,;49.13,-26.81,;50.46,-26.04,;50.45,-24.5,;51.79,-26.8,;51.8,-28.35,;50.46,-29.12,;50.46,-30.66,;53.12,-26.02,;52.34,-24.69,;53.89,-24.68,;54.46,-26.79,;55.79,-26.02,;57.19,-26.64,;58.22,-25.49,;57.44,-24.16,;55.94,-24.49,;45.12,-30.66,;43.79,-31.42,)|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)/t10-,11-
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n/an/a 156n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261073
PNG
(CHEMBL4074392)
Show SMILES Fc1cc(NCC2CCCC3(C2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H21ClFN3O4S2/c19-13-8-16(29(24,25)23-17-21-4-7-28-17)14(20)9-15(13)22-11-12-2-1-3-18(10-12)26-5-6-27-18/h4,7-9,12,22H,1-3,5-6,10-11H2,(H,21,23)
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n/an/a 162n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261118
PNG
(CHEMBL4071736)
Show SMILES O[C@]12CCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCC2 |r,wU:5.6,1.0,(24.36,-1.35,;24.38,-2.89,;22.8,-2.58,;21.96,-3.88,;22.93,-5.07,;24.37,-4.52,;24.37,-6.06,;25.7,-6.83,;27.03,-6.06,;27.04,-4.52,;28.36,-3.75,;28.36,-2.21,;29.7,-4.51,;29.71,-6.06,;28.37,-6.83,;28.37,-8.37,;31.03,-3.73,;30.25,-2.4,;31.8,-2.39,;32.37,-4.5,;33.7,-3.73,;35.1,-4.35,;36.13,-3.2,;35.35,-1.87,;33.85,-2.2,;25.86,-4.92,;26.69,-3.63,;25.72,-2.43,)|
Show InChI InChI=1S/C18H21ClFN3O3S2/c19-12-9-15(28(25,26)23-16-21-7-8-27-16)13(20)10-14(12)22-11-17-3-1-5-18(17,24)6-2-4-17/h7-10,22,24H,1-6,11H2,(H,21,23)/t17-,18-
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n/an/a 169n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261121
PNG
(CHEMBL4101414 | US10836758, Example 38)
Show SMILES Fc1cc(NCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-5-13(24(20,21)19-14-17-2-4-23-14)11(16)6-12(10)18-7-9-1-3-22-8-9/h2,4-6,9,18H,1,3,7-8H2,(H,17,19)
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n/an/a 188n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261071
PNG
(CHEMBL4100208 | US10836758, Example 40)
Show SMILES Fc1cc(NCC2CCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-6-13(24(20,21)19-14-17-3-5-23-14)11(16)7-12(10)18-8-9-2-1-4-22-9/h3,5-7,9,18H,1-2,4,8H2,(H,17,19)
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n/an/a 189n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261161
PNG
(CHEMBL4076229)
Show SMILES Fc1cc(NCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-19-4-6-24-15)12(17)8-13(11)18-3-1-10-2-5-23-9-10/h4,6-8,10,18H,1-3,5,9H2,(H,19,20)
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n/an/a 221n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261074
PNG
(CHEMBL4092463 | US10836758, Example 10)
Show SMILES Fc1cc(NCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-4-6-24-15)12(17)8-13(11)19-9-10-3-1-2-5-23-10/h4,6-8,10,19H,1-3,5,9H2,(H,18,20)
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n/an/a 237n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261136
PNG
(CHEMBL4083744)
Show SMILES Fc1cc(NCC2OCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C13H13ClFN3O4S2/c14-8-5-11(24(19,20)18-13-16-1-4-23-13)9(15)6-10(8)17-7-12-21-2-3-22-12/h1,4-6,12,17H,2-3,7H2,(H,16,18)
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n/an/a 242n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261143
PNG
(CHEMBL4061129)
Show SMILES OC12CC3CC(C1)CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2 |TLB:28:8:2.3.4:6,THB:28:3:6:29.8.7,7:8:2:4.5.6,7:5:2:29.28.8,9:8:2.3.4:6|
Show InChI InChI=1S/C20H23ClFN3O3S2/c21-14-4-17(30(27,28)25-18-23-1-2-29-18)15(22)5-16(14)24-11-19-6-12-3-13(7-19)9-20(26,8-12)10-19/h1-2,4-5,12-13,24,26H,3,6-11H2,(H,23,25)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261142
PNG
(CHEMBL4082252)
Show SMILES Fc1cc(NCC2CCS(=O)(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O4S3/c15-10-5-13(26(22,23)19-14-17-2-3-24-14)11(16)6-12(10)18-7-9-1-4-25(20,21)8-9/h2-3,5-6,9,18H,1,4,7-8H2,(H,17,19)
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n/an/a 266n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261091
PNG
(CHEMBL4084685)
Show SMILES O[C@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-4-5-25-16)13(18)8-14(12)20-9-10-2-1-3-11(22)6-10/h4-5,7-8,10-11,20,22H,1-3,6,9H2,(H,19,21)/t10-,11-/m0/s1
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n/an/a 281n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261072
PNG
(CHEMBL4092025)
Show SMILES Fc1cc(NC[C@@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261127
PNG
(CHEMBL4062009)
Show SMILES Fc1cc(NC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-7-13(24(20,21)19-14-17-3-6-23-14)11(16)8-12(10)18-9-1-4-22-5-2-9/h3,6-9,18H,1-2,4-5H2,(H,17,19)
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n/an/a 336n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261159
PNG
(CHEMBL4098747)
Show SMILES Fc1cc(NCCC2CCC3(CC2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H23ClFN3O4S2/c20-14-11-17(30(25,26)24-18-23-7-10-29-18)15(21)12-16(14)22-6-3-13-1-4-19(5-2-13)27-8-9-28-19/h7,10-13,22H,1-6,8-9H2,(H,23,24)
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n/an/a 348n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261095
PNG
(CHEMBL4068484)
Show SMILES O[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(4.65,-11.88,;5.99,-11.12,;6,-9.58,;7.33,-8.82,;8.66,-9.59,;9.99,-8.82,;9.99,-7.28,;11.33,-6.51,;11.33,-4.97,;12.66,-4.2,;12.65,-2.66,;13.99,-4.96,;14,-6.51,;12.66,-7.28,;12.66,-8.82,;15.32,-4.18,;14.54,-2.85,;16.09,-2.84,;16.66,-4.95,;17.99,-4.18,;19.4,-4.8,;20.42,-3.66,;19.65,-2.33,;18.14,-2.65,;8.66,-11.13,;7.32,-11.89,)|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)/t10-,11+
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n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261148
PNG
(CHEMBL4095822)
Show SMILES Fc1cc(NCC2CCC3(CC2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H21ClFN3O4S2/c19-13-9-16(29(24,25)23-17-21-5-8-28-17)14(20)10-15(13)22-11-12-1-3-18(4-2-12)26-6-7-27-18/h5,8-10,12,22H,1-4,6-7,11H2,(H,21,23)
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n/an/a 407n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261078
PNG
(CHEMBL4084268)
Show SMILES CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C19H25ClFN3O3S2/c1-19(2,3)17-12(5-4-7-27-17)11-23-15-10-14(21)16(9-13(15)20)29(25,26)24-18-22-6-8-28-18/h6,8-10,12,17,23H,4-5,7,11H2,1-3H3,(H,22,24)/t12-,17-/m1/s1
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n/an/a 415n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261093
PNG
(CHEMBL4064737)
Show SMILES Fc1cc(-[#7]-[#6]-[#6]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#7]/[#8]-[#6]-c2ccccc2)c(Cl)cc1S(=O)(=O)[#7]-c1nccs1
Show InChI InChI=1S/C23H24ClFN4O3S2/c24-19-12-22(34(30,31)29-23-26-10-11-33-23)20(25)13-21(19)27-14-16-6-8-18(9-7-16)28-32-15-17-4-2-1-3-5-17/h1-5,10-13,16,27H,6-9,14-15H2,(H,26,29)/b28-18-
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n/an/a 444n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261098
PNG
(CHEMBL4071860)
Show SMILES [H][C@@]12OCC[C@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCCO2 |r|
Show InChI InChI=1S/C17H19ClFN3O4S2/c18-11-8-14(28(23,24)22-16-20-4-7-27-16)12(19)9-13(11)21-10-17-2-1-5-25-15(17)26-6-3-17/h4,7-9,15,21H,1-3,5-6,10H2,(H,20,22)/t15-,17+/m1/s1
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n/an/a 614n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261128
PNG
(CHEMBL4084713)
Show SMILES CC1CC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC(C)O1
Show InChI InChI=1S/C17H21ClFN3O3S2/c1-10-5-12(6-11(2)25-10)9-21-15-8-14(19)16(7-13(15)18)27(23,24)22-17-20-3-4-26-17/h3-4,7-8,10-12,21H,5-6,9H2,1-2H3,(H,20,22)
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n/an/a 706n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261095
PNG
(CHEMBL4068484)
Show SMILES O[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(4.65,-11.88,;5.99,-11.12,;6,-9.58,;7.33,-8.82,;8.66,-9.59,;9.99,-8.82,;9.99,-7.28,;11.33,-6.51,;11.33,-4.97,;12.66,-4.2,;12.65,-2.66,;13.99,-4.96,;14,-6.51,;12.66,-7.28,;12.66,-8.82,;15.32,-4.18,;14.54,-2.85,;16.09,-2.84,;16.66,-4.95,;17.99,-4.18,;19.4,-4.8,;20.42,-3.66,;19.65,-2.33,;18.14,-2.65,;8.66,-11.13,;7.32,-11.89,)|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)/t10-,11+
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n/an/a 730n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261118
PNG
(CHEMBL4071736)
Show SMILES O[C@]12CCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCC2 |r,wU:5.6,1.0,(24.36,-1.35,;24.38,-2.89,;22.8,-2.58,;21.96,-3.88,;22.93,-5.07,;24.37,-4.52,;24.37,-6.06,;25.7,-6.83,;27.03,-6.06,;27.04,-4.52,;28.36,-3.75,;28.36,-2.21,;29.7,-4.51,;29.71,-6.06,;28.37,-6.83,;28.37,-8.37,;31.03,-3.73,;30.25,-2.4,;31.8,-2.39,;32.37,-4.5,;33.7,-3.73,;35.1,-4.35,;36.13,-3.2,;35.35,-1.87,;33.85,-2.2,;25.86,-4.92,;26.69,-3.63,;25.72,-2.43,)|
Show InChI InChI=1S/C18H21ClFN3O3S2/c19-12-9-15(28(25,26)23-16-21-7-8-27-16)13(20)10-14(12)22-11-17-3-1-5-18(17,24)6-2-4-17/h7-10,22,24H,1-6,11H2,(H,21,23)/t17-,18-
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n/an/a 750n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261076
PNG
(CHEMBL4099769)
Show SMILES Fc1cc(NC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C14H15ClFN3O3S2/c15-10-6-13(24(20,21)19-14-17-3-5-23-14)11(16)7-12(10)18-9-2-1-4-22-8-9/h3,5-7,9,18H,1-2,4,8H2,(H,17,19)
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n/an/a 796n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261122
PNG
(CHEMBL4073353 | US10836758, Example 37)
Show SMILES Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-1-2-11-3-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261138
PNG
(CHEMBL4065798)
Show SMILES Fc1cc(NCCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-9-15(26(22,23)21-16-20-6-8-25-16)13(18)10-14(12)19-5-4-11-3-1-2-7-24-11/h6,8-11,19H,1-5,7H2,(H,20,21)
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n/an/a 874n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261119
PNG
(CHEMBL4089301)
Show SMILES OC1C2CC3CC1CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2 |TLB:29:8:1.2.3:5,0:1:7.29.8:3.4.5,0:1:5:7.8.28,THB:29:2:5:7.8.28,28:8:1:3.4.5,28:4:1:7.29.8,9:8:1.2.3:5,(19.79,-20.93,;21.33,-20.94,;22.18,-19.63,;21.12,-18.45,;21.09,-16.84,;20.39,-18.08,;21.39,-19.19,;22.7,-18.68,;23.51,-17.49,;24.85,-16.73,;24.85,-15.19,;26.18,-14.42,;26.19,-12.87,;27.51,-12.1,;27.51,-10.56,;28.85,-12.87,;28.85,-14.42,;27.52,-15.19,;27.52,-16.73,;30.18,-12.09,;29.4,-10.75,;30.95,-10.74,;31.52,-12.86,;32.85,-12.08,;34.25,-12.71,;35.28,-11.56,;34.5,-10.23,;33,-10.55,;22.51,-16.35,;23.6,-19.12,)|
Show InChI InChI=1S/C20H23ClFN3O3S2/c21-14-5-17(30(27,28)25-19-23-1-2-29-19)15(22)6-16(14)24-10-20-7-11-3-12(8-20)18(26)13(4-11)9-20/h1-2,5-6,11-13,18,24,26H,3-4,7-10H2,(H,23,25)
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n/an/a 916n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261120
PNG
(CHEMBL4069801)
Show SMILES Fc1cc(NC2CC3CCC2O3)c(Cl)cc1S(=O)(=O)Nc1nccs1 |TLB:4:5:9.8:11|
Show InChI InChI=1S/C15H15ClFN3O3S2/c16-9-6-14(25(21,22)20-15-18-3-4-24-15)10(17)7-11(9)19-12-5-8-1-2-13(12)23-8/h3-4,6-8,12-13,19H,1-2,5H2,(H,18,20)
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n/an/a 931n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261094
PNG
(CHEMBL4092435)
Show SMILES O[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,wD:1.0,(42.45,-33.72,;43.79,-32.96,;45.12,-33.73,;46.46,-32.97,;46.45,-31.43,;47.79,-30.66,;47.79,-29.12,;49.12,-28.35,;49.13,-26.81,;50.46,-26.04,;50.45,-24.5,;51.79,-26.8,;51.8,-28.35,;50.46,-29.12,;50.46,-30.66,;53.12,-26.02,;52.34,-24.69,;53.89,-24.68,;54.46,-26.79,;55.79,-26.02,;57.19,-26.64,;58.22,-25.49,;57.44,-24.16,;55.94,-24.49,;45.12,-30.66,;43.79,-31.42,)|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-5-6-25-16)13(18)8-14(12)20-9-10-1-3-11(22)4-2-10/h5-8,10-11,20,22H,1-4,9H2,(H,19,21)/t10-,11-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261145
PNG
(CHEMBL4073933)
Show SMILES Fc1cc(NC[C@H]2CCCO[C@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H21ClFN3O3S2/c22-16-11-19(31(27,28)26-21-24-8-10-30-21)17(23)12-18(16)25-13-15-7-4-9-29-20(15)14-5-2-1-3-6-14/h1-3,5-6,8,10-12,15,20,25H,4,7,9,13H2,(H,24,26)/t15-,20+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261144
PNG
(CHEMBL4097000)
Show SMILES Fc1cc(NC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C13H13ClFN3O3S2/c14-9-5-12(23(19,20)18-13-16-2-4-22-13)10(15)6-11(9)17-8-1-3-21-7-8/h2,4-6,8,17H,1,3,7H2,(H,16,18)
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261089
PNG
(CHEMBL4086750)
Show SMILES Fc1cc(NC2CC3(COC3)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H15ClFN3O3S2/c16-10-3-13(25(21,22)20-14-18-1-2-24-14)11(17)4-12(10)19-9-5-15(6-9)7-23-8-15/h1-4,9,19H,5-8H2,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50261147
PNG
(CHEMBL4094879)
Show SMILES O[C@@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-7-15(26(23,24)21-16-19-4-5-25-16)13(18)8-14(12)20-9-10-2-1-3-11(22)6-10/h4-5,7-8,10-11,20,22H,1-3,6,9H2,(H,19,21)/t10-,11+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
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