Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50049251   

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 (Rattus norvegicus)	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Nav1.7 in C57BL/6 rat embryonic DRG cells assessed as blockade of spontaneous neuronal firing by Maestro microelectrode array analysis				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50024245 (CHEMBL3325524) Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology ass...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237491 (CHEMBL4094887) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:4.4,1.0,(66.64,-7.74,;66.69,-6.2,;65.39,-5.39,;65.44,-3.85,;66.79,-3.14,;67.56,-1.81,;69.1,-1.82,;69.86,-3.15,;71.4,-3.16,;72.17,-1.84,;73.7,-1.84,;74.47,-.51,;74.47,-3.18,;73.69,-4.51,;72.16,-4.5,;71.38,-5.83,;76.01,-3.18,;76.42,-1.69,;77.5,-2.8,;76.77,-4.52,;78.31,-4.53,;79.22,-3.29,;80.68,-3.77,;80.67,-5.31,;79.21,-5.78,;68.1,-3.93,;68.05,-5.47,;65.69,-2.04,;66.1,-.53,;65,.58,;63.49,.17,;62.41,1.26,;63.09,-1.34,;64.19,-2.44,)| Show InChI InChI=1S/C22H23ClF2N4O3S2/c23-15-3-1-14(2-4-15)22(7-5-16(26)6-8-22)9-10-32-19-11-18(25)20(12-17(19)24)34(30,31)29-21-27-13-28-33-21/h1-4,11-13,16H,5-10,26H2,(H,27,28,29)/t16-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237522 (CHEMBL4060154 | US10836758, Example 17) Show SMILES N[C@H]1CC[C@@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(2.3,-59.56,;2.29,-58.02,;.96,-57.25,;.96,-55.71,;2.3,-54.94,;2.3,-53.39,;3.62,-52.63,;3.61,-51.07,;4.95,-50.28,;4.95,-48.74,;6.28,-47.97,;6.28,-46.43,;7.61,-48.73,;7.61,-50.28,;6.27,-51.05,;6.28,-52.59,;8.95,-47.95,;8.18,-46.61,;9.72,-46.61,;10.3,-48.72,;11.63,-47.94,;11.62,-46.41,;13.08,-45.93,;13.99,-47.17,;13.09,-48.42,;3.62,-55.7,;3.62,-57.25,)| Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-9-16(27(24,25)23-17-22-7-8-26-17)14(19)10-15(13)21-6-5-11-1-3-12(20)4-2-11/h7-12,21H,1-6,20H2,(H,22,23)/t11-,12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237518 (CHEMBL4076444 | US10836758, Example 4) Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-4-11-3-1-2-5-19-11/h7-11,19-20H,1-6H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237521 (CHEMBL4101437) Show SMILES N[C@H]1CC[C@@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(22.89,-44.29,;22.94,-42.75,;21.64,-41.94,;21.69,-40.41,;23.04,-39.69,;23.82,-38.36,;25.35,-38.37,;26.12,-39.7,;27.66,-39.71,;28.42,-38.39,;29.95,-38.39,;30.73,-37.06,;30.73,-39.73,;29.95,-41.06,;28.41,-41.06,;27.63,-42.38,;32.26,-39.74,;32.68,-38.25,;33.76,-39.35,;33.03,-41.08,;34.57,-41.08,;35.48,-39.84,;36.94,-40.32,;36.93,-41.86,;35.47,-42.33,;24.36,-40.48,;24.3,-42.03,;21.94,-38.59,;22.35,-37.08,;21.25,-35.98,;19.75,-36.38,;19.34,-37.89,;20.44,-38.99,)| Show InChI InChI=1S/C23H26ClFN4O2S2/c24-18-14-21(33(30,31)29-22-28-12-13-32-22)19(25)15-20(18)27-11-10-23(8-6-17(26)7-9-23)16-4-2-1-3-5-16/h1-5,12-15,17,27H,6-11,26H2,(H,28,29)/t17-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237506 (CHEMBL4098912) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(70.59,-20.09,;70.64,-18.56,;69.33,-17.74,;69.38,-16.21,;70.73,-15.49,;71.51,-14.16,;73.05,-14.17,;73.81,-15.51,;75.35,-15.52,;76.11,-14.19,;77.65,-14.2,;78.42,-12.87,;78.42,-15.54,;77.64,-16.87,;76.1,-16.86,;75.32,-18.18,;79.96,-15.54,;80.37,-14.05,;81.45,-15.15,;80.72,-16.88,;82.26,-16.88,;83.17,-15.64,;84.63,-16.12,;84.62,-17.66,;83.16,-18.13,;72.05,-16.29,;72,-17.83,;69.63,-14.39,;70.04,-12.89,;68.95,-11.79,;67.44,-12.19,;67.04,-13.7,;68.14,-14.79,)| Show InChI InChI=1S/C22H24ClFN4O3S2/c23-17-12-20(33(29,30)28-21-26-14-27-32-21)18(24)13-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237526 (CHEMBL4092078 | US10836758, Example 12) Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237526 (CHEMBL4092078 | US10836758, Example 12) Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM50237517 (CHEMBL4078268 | US10836758, Example 20) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of rat Nav1.7 assessed as reduction in peak inward current at -70 mV holding potential measured after 600 secs by manual patch clamp elect...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237525 (CHEMBL4078252 | US10836758, Example 2) Show SMILES Fc1cc(NCCC2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-8-15(26(23,24)22-16-21-6-7-25-16)13(18)9-14(12)20-5-3-11-2-1-4-19-10-11/h6-9,11,19-20H,1-5,10H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237516 (CHEMBL4080712 | US10836758, Example 18) Show SMILES N[C@H]1CC[C@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(12.18,-61.35,;12.18,-59.81,;10.84,-59.04,;10.84,-57.5,;12.18,-56.73,;12.18,-55.19,;13.5,-54.42,;13.49,-52.86,;14.83,-52.07,;14.83,-50.53,;16.16,-49.76,;16.16,-48.22,;17.49,-50.53,;17.49,-52.07,;16.16,-52.84,;16.16,-54.38,;18.83,-49.74,;18.06,-48.41,;19.6,-48.4,;20.18,-50.51,;21.51,-49.73,;21.5,-48.2,;22.96,-47.73,;23.87,-48.96,;22.97,-50.21,;13.51,-57.5,;13.5,-59.05,)| Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-9-16(27(24,25)23-17-22-7-8-26-17)14(19)10-15(13)21-6-5-11-1-3-12(20)4-2-11/h7-12,21H,1-6,20H2,(H,22,23)/t11-,12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237508 (CHEMBL4071098 | US10836758, Example 13) Show SMILES Fc1cc(NCCC2CCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-7-14(25(22,23)21-15-20-5-6-24-15)12(17)8-13(11)19-4-2-10-1-3-18-9-10/h5-8,10,18-19H,1-4,9H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237520 (CHEMBL4088581 | US10836758, Example 3) Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-7-14(26(23,24)22-15-20-9-21-25-15)12(17)8-13(11)19-6-4-10-3-1-2-5-18-10/h7-10,18-19H,1-6H2,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237493 (CHEMBL4102633) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(27.38,-21.24,;27.43,-19.7,;26.12,-18.89,;26.17,-17.36,;27.52,-16.64,;28.3,-15.31,;29.84,-15.32,;30.6,-16.66,;32.14,-16.66,;32.9,-15.34,;34.44,-15.34,;35.21,-14.01,;35.21,-16.69,;34.43,-18.01,;32.89,-18.01,;32.11,-19.33,;36.74,-16.69,;37.16,-15.2,;38.24,-16.3,;37.51,-18.03,;39.05,-18.03,;39.95,-16.79,;41.42,-17.27,;41.41,-18.81,;39.94,-19.28,;28.84,-17.43,;28.79,-18.98,;26.42,-15.54,;26.83,-14.03,;25.74,-12.93,;24.23,-13.33,;23.83,-14.85,;24.93,-15.94,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237499 (CHEMBL4076627 | US10836758, Example 19) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)| Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237528 (CHEMBL4064193) Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C19H26ClFN4O2S2/c1-18(2)10-12(11-19(3,4)25(18)5)23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-6-7-28-17/h6-9,12,23H,10-11H2,1-5H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237528 (CHEMBL4064193) Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C19H26ClFN4O2S2/c1-18(2)10-12(11-19(3,4)25(18)5)23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-6-7-28-17/h6-9,12,23H,10-11H2,1-5H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237509 (CHEMBL4103940 | US10836758, Example 16) Show SMILES Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O2S2/c15-10-5-13(24(21,22)20-14-19-3-4-23-14)11(16)6-12(10)18-2-1-9-7-17-8-9/h3-6,9,17-18H,1-2,7-8H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50237528 (CHEMBL4064193) Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C19H26ClFN4O2S2/c1-18(2)10-12(11-19(3,4)25(18)5)23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-6-7-28-17/h6-9,12,23H,10-11H2,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237532 (CHEMBL4096299 | US10836758, Example 1) Show SMILES Fc1cc(NCCC2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-3-11-1-4-19-5-2-11/h7-11,19-20H,1-6H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237523 (CHEMBL4085278) Show SMILES Fc1cc(NC[C@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50237526 (CHEMBL4092078 | US10836758, Example 12) Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237510 (CHEMBL4062380 | US10836758, Example 43) Show SMILES Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237511 (CHEMBL4072007) Show SMILES CN[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:5.5,2.1,(27.81,-33.45,;26.5,-32.64,;26.55,-31.1,;25.25,-30.29,;25.3,-28.76,;26.65,-28.04,;27.42,-26.71,;28.96,-26.72,;29.72,-28.06,;31.26,-28.06,;32.03,-26.74,;33.56,-26.74,;34.33,-25.41,;34.33,-28.09,;33.55,-29.41,;32.02,-29.41,;31.24,-30.73,;35.87,-28.09,;36.28,-26.6,;37.37,-27.7,;36.63,-29.43,;38.17,-29.43,;39.08,-28.19,;40.54,-28.67,;40.54,-30.21,;39.07,-30.68,;27.96,-28.83,;27.91,-30.38,;25.55,-26.94,;25.96,-25.43,;24.86,-24.33,;23.35,-24.73,;22.95,-26.25,;24.05,-27.34,)| Show InChI InChI=1S/C23H26F2N4O3S2/c1-26-17-7-9-23(10-8-17,16-5-3-2-4-6-16)11-12-32-20-13-19(25)21(14-18(20)24)34(30,31)29-22-27-15-28-33-22/h2-6,13-15,17,26H,7-12H2,1H3,(H,27,28,29)/t17-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237514 (CHEMBL4089010 | US10836758, Example 6) Show SMILES Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H16ClFN4O3S2/c15-10-5-13(25(21,22)20-14-18-2-4-24-14)11(16)6-12(10)19-8-9-7-17-1-3-23-9/h2,4-6,9,17,19H,1,3,7-8H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237512 (CHEMBL4091922 | US10836758, Example 5) Show SMILES CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c1-23-7-3-12(4-8-23)2-5-20-15-11-14(19)16(10-13(15)18)27(24,25)22-17-21-6-9-26-17/h6,9-12,20H,2-5,7-8H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237503 (CHEMBL4093720) Show SMILES C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)| Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237504 (CHEMBL4067455 | US10836758, Example 44) Show SMILES Fc1cc(c(F)cc1OCCC1(CCNCC1)c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H21ClF2N4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-11-17(24)19(12-16(18)23)33(29,30)28-20-26-13-27-32-20/h1-4,11-13,25H,5-10H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237513 (CHEMBL4063378) Show SMILES Fc1cc(c(F)cc1OCC[C@@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 |r,wU:14.18,11.11,(31.13,-18.84,;31.91,-17.51,;33.45,-17.52,;34.23,-16.19,;33.46,-14.85,;34.23,-13.52,;31.92,-14.85,;31.16,-16.17,;29.62,-16.16,;28.85,-14.82,;27.31,-14.82,;26.54,-16.15,;25.18,-16.86,;25.14,-18.4,;26.44,-19.21,;27.8,-18.49,;27.85,-16.94,;26.39,-20.75,;25.04,-21.47,;23.52,-21.43,;24.24,-22.77,;25.44,-15.04,;23.94,-15.45,;22.84,-14.35,;23.24,-12.84,;24.75,-12.44,;25.85,-13.54,;35.77,-16.19,;36.18,-14.7,;37.26,-15.81,;36.53,-17.53,;38.07,-17.54,;38.98,-16.3,;40.44,-16.78,;40.44,-18.32,;38.97,-18.79,)| Show InChI InChI=1S/C25H28F2N4O3S2/c26-20-15-23(36(32,33)31-24-28-16-29-35-24)21(27)14-22(20)34-13-12-25(17-4-2-1-3-5-17)10-8-19(9-11-25)30-18-6-7-18/h1-5,14-16,18-19,30H,6-13H2,(H,28,29,31)/t19-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237513 (CHEMBL4063378) Show SMILES Fc1cc(c(F)cc1OCC[C@@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 |r,wU:14.18,11.11,(31.13,-18.84,;31.91,-17.51,;33.45,-17.52,;34.23,-16.19,;33.46,-14.85,;34.23,-13.52,;31.92,-14.85,;31.16,-16.17,;29.62,-16.16,;28.85,-14.82,;27.31,-14.82,;26.54,-16.15,;25.18,-16.86,;25.14,-18.4,;26.44,-19.21,;27.8,-18.49,;27.85,-16.94,;26.39,-20.75,;25.04,-21.47,;23.52,-21.43,;24.24,-22.77,;25.44,-15.04,;23.94,-15.45,;22.84,-14.35,;23.24,-12.84,;24.75,-12.44,;25.85,-13.54,;35.77,-16.19,;36.18,-14.7,;37.26,-15.81,;36.53,-17.53,;38.07,-17.54,;38.98,-16.3,;40.44,-16.78,;40.44,-18.32,;38.97,-18.79,)| Show InChI InChI=1S/C25H28F2N4O3S2/c26-20-15-23(36(32,33)31-24-28-16-29-35-24)21(27)14-22(20)34-13-12-25(17-4-2-1-3-5-17)10-8-19(9-11-25)30-18-6-7-18/h1-5,14-16,18-19,30H,6-13H2,(H,28,29,31)/t19-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237531 (CHEMBL4077266) Show SMILES N[C@H]1CC[C@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(42.57,-44.7,;42.62,-43.17,;41.32,-42.35,;41.37,-40.82,;42.72,-40.1,;43.49,-38.77,;45.03,-38.78,;45.8,-40.12,;47.33,-40.12,;48.1,-38.8,;49.63,-38.81,;50.4,-37.47,;50.4,-40.15,;49.63,-41.48,;48.09,-41.47,;47.31,-42.79,;51.94,-40.15,;52.35,-38.66,;53.44,-39.76,;52.71,-41.49,;54.25,-41.49,;55.15,-40.25,;56.62,-40.73,;56.61,-42.27,;55.14,-42.74,;44.03,-40.9,;43.98,-42.44,;41.62,-39,;42.03,-37.49,;40.93,-36.39,;39.42,-36.79,;39.02,-38.31,;40.12,-39.4,)| Show InChI InChI=1S/C23H26ClFN4O2S2/c24-18-14-21(33(30,31)29-22-28-12-13-32-22)19(25)15-20(18)27-11-10-23(8-6-17(26)7-9-23)16-4-2-1-3-5-16/h1-5,12-15,17,27H,6-11,26H2,(H,28,29)/t17-,23+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237500 (CHEMBL4096711) Show SMILES ON1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C15H18ClFN4O3S2/c16-11-6-14(26(23,24)20-15-18-3-5-25-15)12(17)7-13(11)19-8-10-2-1-4-21(22)9-10/h3,5-7,10,19,22H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237505 (CHEMBL4072107) Show SMILES ON1CCC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C15H18ClFN4O3S2/c16-11-6-14(26(23,24)20-15-18-3-5-25-15)12(17)7-13(11)19-8-10-2-1-4-21(22)9-10/h3,5-7,10,19,22H,1-2,4,8-9H2,(H,18,20)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237502 (CHEMBL4067257) Show SMILES CN1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 Show InChI InChI=1S/C16H20ClFN4O2S2/c1-22-5-2-3-11(10-22)9-20-14-8-13(18)15(7-12(14)17)26(23,24)21-16-19-4-6-25-16/h4,6-8,11,20H,2-3,5,9-10H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237506 (CHEMBL4098912) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(70.59,-20.09,;70.64,-18.56,;69.33,-17.74,;69.38,-16.21,;70.73,-15.49,;71.51,-14.16,;73.05,-14.17,;73.81,-15.51,;75.35,-15.52,;76.11,-14.19,;77.65,-14.2,;78.42,-12.87,;78.42,-15.54,;77.64,-16.87,;76.1,-16.86,;75.32,-18.18,;79.96,-15.54,;80.37,-14.05,;81.45,-15.15,;80.72,-16.88,;82.26,-16.88,;83.17,-15.64,;84.63,-16.12,;84.62,-17.66,;83.16,-18.13,;72.05,-16.29,;72,-17.83,;69.63,-14.39,;70.04,-12.89,;68.95,-11.79,;67.44,-12.19,;67.04,-13.7,;68.14,-14.79,)| Show InChI InChI=1S/C22H24ClFN4O3S2/c23-17-12-20(33(29,30)28-21-26-14-27-32-21)18(24)13-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237491 (CHEMBL4094887) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:4.4,1.0,(66.64,-7.74,;66.69,-6.2,;65.39,-5.39,;65.44,-3.85,;66.79,-3.14,;67.56,-1.81,;69.1,-1.82,;69.86,-3.15,;71.4,-3.16,;72.17,-1.84,;73.7,-1.84,;74.47,-.51,;74.47,-3.18,;73.69,-4.51,;72.16,-4.5,;71.38,-5.83,;76.01,-3.18,;76.42,-1.69,;77.5,-2.8,;76.77,-4.52,;78.31,-4.53,;79.22,-3.29,;80.68,-3.77,;80.67,-5.31,;79.21,-5.78,;68.1,-3.93,;68.05,-5.47,;65.69,-2.04,;66.1,-.53,;65,.58,;63.49,.17,;62.41,1.26,;63.09,-1.34,;64.19,-2.44,)| Show InChI InChI=1S/C22H23ClF2N4O3S2/c23-15-3-1-14(2-4-15)22(7-5-16(26)6-8-22)9-10-32-19-11-18(25)20(12-17(19)24)34(30,31)29-21-27-13-28-33-21/h1-4,11-13,16H,5-10,26H2,(H,27,28,29)/t16-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237530 (CHEMBL4098339) Show SMILES CC(=O)N1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 Show InChI InChI=1S/C17H20ClFN4O3S2/c1-11(24)23-5-2-3-12(10-23)9-21-15-8-14(19)16(7-13(15)18)28(25,26)22-17-20-4-6-27-17/h4,6-8,12,21H,2-3,5,9-10H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237501 (CHEMBL4071551 | US10836758, Example 15) Show SMILES Fc1cc(NCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C13H14ClFN4O2S2/c14-9-3-12(23(20,21)19-13-17-1-2-22-13)10(15)4-11(9)18-7-8-5-16-6-8/h1-4,8,16,18H,5-7H2,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237529 (CHEMBL4087898) Show SMILES C[C@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:24.26,wD:1.1,(76.43,-36.87,;77.53,-37.98,;78.31,-36.65,;79.85,-36.65,;80.61,-37.99,;82.15,-38,;82.91,-36.68,;84.45,-36.68,;85.22,-35.35,;85.22,-38.02,;84.44,-39.35,;82.91,-39.34,;82.12,-40.67,;86.76,-38.02,;87.17,-36.53,;88.26,-37.64,;87.53,-39.36,;89.07,-39.37,;89.98,-38.13,;91.44,-38.61,;91.43,-40.15,;89.97,-40.62,;76.18,-38.69,;76.13,-40.23,;77.44,-41.04,;77.38,-42.58,;78.8,-40.32,;78.85,-38.77,)| Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237492 (CHEMBL4065188) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.4,(6.2,-22.18,;6.25,-20.64,;4.94,-19.82,;4.99,-18.29,;6.34,-17.57,;7.12,-16.25,;8.66,-16.25,;9.42,-17.59,;10.96,-17.6,;11.72,-16.28,;13.26,-16.28,;14.03,-14.95,;14.03,-17.62,;13.25,-18.95,;11.71,-18.94,;10.93,-20.27,;15.57,-17.62,;15.98,-16.13,;17.06,-17.23,;16.33,-18.96,;17.87,-18.97,;18.78,-17.73,;20.24,-18.21,;20.23,-19.74,;18.77,-20.21,;7.66,-18.37,;7.61,-19.91,;5.24,-16.47,;5.65,-14.97,;4.56,-13.87,;3.05,-14.27,;1.96,-13.18,;2.65,-15.78,;3.75,-16.88,)| Show InChI InChI=1S/C22H23ClF2N4O3S2/c23-15-3-1-14(2-4-15)22(7-5-16(26)6-8-22)9-10-32-19-11-18(25)20(12-17(19)24)34(30,31)29-21-27-13-28-33-21/h1-4,11-13,16H,5-10,26H2,(H,27,28,29)/t16-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237519 (CHEMBL4097237 | US10836758, Example 21) Show SMILES N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(46.21,-58.36,;47.55,-57.58,;47.55,-56.04,;48.89,-55.27,;50.21,-56.04,;51.54,-55.27,;51.52,-53.72,;52.86,-52.92,;52.86,-51.39,;54.19,-50.61,;54.19,-49.08,;55.53,-51.38,;55.53,-52.93,;54.19,-53.69,;54.19,-55.23,;56.86,-50.6,;56.09,-49.26,;57.63,-49.26,;58.21,-51.37,;59.53,-50.59,;59.53,-49.05,;60.99,-48.58,;61.89,-49.81,;61,-51.06,;50.21,-57.58,;48.88,-58.35,)| Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237493 (CHEMBL4102633) Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(27.38,-21.24,;27.43,-19.7,;26.12,-18.89,;26.17,-17.36,;27.52,-16.64,;28.3,-15.31,;29.84,-15.32,;30.6,-16.66,;32.14,-16.66,;32.9,-15.34,;34.44,-15.34,;35.21,-14.01,;35.21,-16.69,;34.43,-18.01,;32.89,-18.01,;32.11,-19.33,;36.74,-16.69,;37.16,-15.2,;38.24,-16.3,;37.51,-18.03,;39.05,-18.03,;39.95,-16.79,;41.42,-17.27,;41.41,-18.81,;39.94,-19.28,;28.84,-17.43,;28.79,-18.98,;26.42,-15.54,;26.83,-14.03,;25.74,-12.93,;24.23,-13.33,;23.83,-14.85,;24.93,-15.94,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237511 (CHEMBL4072007) Show SMILES CN[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:5.5,2.1,(27.81,-33.45,;26.5,-32.64,;26.55,-31.1,;25.25,-30.29,;25.3,-28.76,;26.65,-28.04,;27.42,-26.71,;28.96,-26.72,;29.72,-28.06,;31.26,-28.06,;32.03,-26.74,;33.56,-26.74,;34.33,-25.41,;34.33,-28.09,;33.55,-29.41,;32.02,-29.41,;31.24,-30.73,;35.87,-28.09,;36.28,-26.6,;37.37,-27.7,;36.63,-29.43,;38.17,-29.43,;39.08,-28.19,;40.54,-28.67,;40.54,-30.21,;39.07,-30.68,;27.96,-28.83,;27.91,-30.38,;25.55,-26.94,;25.96,-25.43,;24.86,-24.33,;23.35,-24.73,;22.95,-26.25,;24.05,-27.34,)| Show InChI InChI=1S/C23H26F2N4O3S2/c1-26-17-7-9-23(10-8-17,16-5-3-2-4-6-16)11-12-32-20-13-19(25)21(14-18(20)24)34(30,31)29-22-27-15-28-33-22/h2-6,13-15,17,26H,7-12H2,1H3,(H,27,28,29)/t17-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237507 (CHEMBL4098978) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(3.92,-32.53,;3.97,-31,;2.67,-30.18,;2.72,-28.65,;4.07,-27.93,;4.84,-26.6,;6.38,-26.61,;7.14,-27.95,;8.68,-27.95,;9.45,-26.63,;10.98,-26.64,;11.75,-25.31,;11.75,-27.98,;10.97,-29.31,;9.44,-29.3,;8.66,-30.62,;13.29,-27.98,;13.7,-26.49,;14.79,-27.59,;14.05,-29.32,;15.59,-29.32,;16.5,-28.08,;17.96,-28.56,;17.96,-30.1,;16.49,-30.57,;5.38,-28.73,;5.33,-30.27,;2.97,-26.83,;3.38,-25.33,;2.28,-24.22,;.77,-24.63,;.37,-26.14,;1.47,-27.23,)| Show InChI InChI=1S/C22H24ClFN4O3S2/c23-17-12-20(33(29,30)28-21-26-14-27-32-21)18(24)13-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237515 (CHEMBL4062566) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair

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