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BDBM258146 US9493448, 122::US9493448, 154::US9493448, 48::US9597330, Example 34::US9845313, Example 154

SMILES: Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1

InChI Key: InChIKey=OJKONCJPCULNOW-DYVFJYSZSA-N

Data: 32 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 258146   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 16n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 63: 10204-10220 (2020)

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


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 17n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...


US Patent US9845313 (2017)


BindingDB Entry DOI: 10.7270/Q25141H5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...


US Patent US9845313 (2017)


BindingDB Entry DOI: 10.7270/Q25141H5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...


US Patent US9845313 (2017)


BindingDB Entry DOI: 10.7270/Q25141H5
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 9.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha/subunit beta-1/subunit beta-2


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4/beta1/beta2 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in CHO cells with -140 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 475n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.6 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

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


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 expressed in ND7/23 cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2


(Mus musculus)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.1/beta1/beta2 expressed in HEK293A cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2


(Mus musculus)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.5/beta1/beta2 expressed in HEK293A cells with -140 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7/beta1/beta2 expressed in HEK293A cells with -120 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells with -80 mV holding potential by whole cell manual patch clamp method


J Med Chem 63: 10204-10220 (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 63: 10204-10220 (2020)

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


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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US Patent
n/an/a 20n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair