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Compile Data Set for Download or QSAR

Found 15 hits for UniProtKB: Q56A07   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha/beta-1/beta-2


(Mus musculus)
BDBM50257179
PNG
(CHEMBL2325622)
Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
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n/an/a 0.550n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50240267
PNG
(CHEMBL2325014)
Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
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n/an/a 4.90n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258162
PNG
(US9493448, 64 | US9597330, Example 21 | US9845313,...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H24FN5O3S/c1-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-3-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1
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n/an/a 15n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258102
PNG
(US9493448, 4 | US9845313, Example 4)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C18H19F2N5O3S2/c1-25-14(6-7-22-25)11-4-2-3-5-15(11)28-16-8-13(20)17(9-12(16)19)30(26,27)24-18-21-10-23-29-18/h6-11,15H,2-5H2,1H3,(H,21,23,24)/t11-,15+/m1/s1
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n/an/a 17n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
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
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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258141
PNG
(US9493448, 43 | US9597330, Example 10 | US9845313,...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H22FN5O3S/c1-13-10-19(30(27,28)25-20-7-8-22-12-23-20)15(21)11-18(13)29-17-5-3-4-14(17)16-6-9-24-26(16)2/h6-12,14,17H,3-5H2,1-2H3,(H,22,23,25)/t14-,17+/m1/s1
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n/an/a 28n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258118
PNG
(US9493448, 20 | US9597330, Example 2 | US9845313, ...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-10-14(21)18(9-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
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n/an/a 28n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM301817
PNG
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)
Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-28-18(7-10-26-28)15-5-3-2-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1
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n/an/a 41n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
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
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 56n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258144
PNG
(US9493448, 46 | US9597330, Example 11 | US9845313,...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-27-17(6-9-25-27)14-4-2-3-5-18(14)30-13-10-15(21)20(16(22)11-13)31(28,29)26-19-7-8-23-12-24-19/h6-12,14,18H,2-5H2,1H3,(H,23,24,26)/t14-,18+/m1/s1
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n/an/a 56n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
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
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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258125
PNG
(US9493448, 27 | US9597330, Example 4 | US9845313, ...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1
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n/an/a 96n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258113
PNG
(US9493448, 15 | US9845313, Example 15)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-9-13(20)17(10-12(16)19)29(25,26)23-18-21-7-8-28-18/h5-11,15H,2-4H2,1H3,(H,21,23)/t11-,15+/m1/s1
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n/an/a 100n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258106
PNG
(US9493448, 8 | US9845313, Example 8)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/m1/s1
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n/an/a 240n/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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258123
PNG
(US9493448, 25 | US9597330, Example 3 | US9845313, ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-10-15(22)19(11-14(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)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair