Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50010964   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium channel protein type 9 subunit alpha/subunit beta-1/subunit beta-2 (Mus musculus)	BDBM50257179 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM50257179 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM50240267 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258102 (US9493448, 4 | US9845313, Example 4) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM50240267 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel subunit beta-2 (Mus musculus)	BDBM258162 (US9493448, 64 | US9597330, Example 21 | US9845313,...) Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258106 (US9493448, 8 | US9845313, Example 8) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258102 (US9493448, 4 | US9845313, Example 4) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM258146 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258141 (US9493448, 43 | US9597330, Example 10 | US9845313,...) Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258146 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	24.5	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258146 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258146 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258146 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258113 (US9493448, 15 | US9845313, Example 15) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258141 (US9493448, 43 | US9597330, Example 10 | US9845313,...) Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258118 (US9493448, 20 | US9597330, Example 2 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM301817 (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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258144 (US9493448, 46 | US9597330, Example 11 | US9845313,...) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258162 (US9493448, 64 | US9597330, Example 21 | US9845313,...) Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM301817 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258118 (US9493448, 20 | US9597330, Example 2 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258144 (US9493448, 46 | US9597330, Example 11 | US9845313,...) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258146 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258113 (US9493448, 15 | US9845313, Example 15) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258123 (US9493448, 25 | US9597330, Example 3 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258112 (US9493448, 14 | US9493448, 31 | US9597330, Example...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258106 (US9493448, 8 | US9845313, Example 8) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258103 (US9493448, 10 | US9493448, 5) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r| Show InChI InChI=1S/C19H20F2N4O3S2/c1-25-15(6-7-23-25)12-4-2-3-5-16(12)28-17-8-14(21)18(9-13(17)20)30(26,27)24-19-10-29-11-22-19/h6-12,16,24H,2-5H2,1H3/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258123 (US9493448, 25 | US9597330, Example 3 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM258146 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258128 (US9493448, 30 | US9845313, Example 30) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-13(7-10-24-26)12-3-2-4-14(12)29-15-5-6-16(19(21)18(15)20)30(27,28)25-17-8-9-22-11-23-17/h5-12,14H,2-4H2,1H3,(H,22,23,25)/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM50543814 (CHEMBL4644497) Show SMILES Cn1nccc1CCOc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C14H13F2N5O3S2/c1-21-9(2-4-18-21)3-5-24-12-6-11(16)13(7-10(12)15)26(22,23)20-14-17-8-19-25-14/h2,4,6-8H,3,5H2,1H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258112 (US9493448, 14 | US9493448, 31 | US9597330, Example...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM258146 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258103 (US9493448, 10 | US9493448, 5) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r| Show InChI InChI=1S/C19H20F2N4O3S2/c1-25-15(6-7-23-25)12-4-2-3-5-16(12)28-17-8-14(21)18(9-13(17)20)30(26,27)24-19-10-29-11-22-19/h6-12,16,24H,2-5H2,1H3/t12-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258128 (US9493448, 30 | US9845313, Example 30) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1F)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-13(7-10-24-26)12-3-2-4-14(12)29-15-5-6-16(19(21)18(15)20)30(27,28)25-17-8-9-22-11-23-17/h5-12,14H,2-4H2,1H3,(H,22,23,25)/t12-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM258146 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 10204-10220 (2020) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM258146 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 10204-10220 (2020) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258113 (US9493448, 15 | US9845313, Example 15) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM301817 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258162 (US9493448, 64 | US9597330, Example 21 | US9845313,...) Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258106 (US9493448, 8 | US9845313, Example 8) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258106 (US9493448, 8 | US9845313, Example 8) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM50543814 (CHEMBL4644497) Show SMILES Cn1nccc1CCOc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C14H13F2N5O3S2/c1-21-9(2-4-18-21)3-5-24-12-6-11(16)13(7-10(12)15)26(22,23)20-14-17-8-19-25-14/h2,4,6-8H,3,5H2,1H3,(H,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258102 (US9493448, 4 | US9845313, Example 4) Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258235 (US9493448, 142 | US9845313, Example 142) 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+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| 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	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.0c00259 BindingDB Entry DOI: 10.7270/Q2Q52T67
					More data for this Ligand-Target Pair

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