Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 9531   

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 (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	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472970 (US10836758, Example 59) Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472965 (55 | US10836758, Example 54) Show SMILES NC1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472962 (US10836758, Example 51) Show SMILES NC1CCC(CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472941 (US10836758, Example /30) Show SMILES CC1CC(C)(C)C(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1N Show InChI InChI=1S/C18H24ClFN4O2S2/c1-10-8-18(2,3)11(16(10)21)9-23-14-7-13(20)15(6-12(14)19)28(25,26)24-17-22-4-5-27-17/h4-7,10-11,16,23H,8-9,21H2,1-3H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472942 (US10836758, Example 31) Show SMILES NC1CCCC1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H18ClFN4O2S2/c16-10-6-14(25(22,23)21-15-19-4-5-24-15)11(17)7-13(10)20-8-9-2-1-3-12(9)18/h4-7,9,12,20H,1-3,8,18H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472960 (50 | US10836758, Example 49) Show SMILES NC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472934 (US10836758, Example 23) Show SMILES CNC1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |(-7.89,-5.55,;-7.89,-4.01,;-6.55,-3.24,;-6.55,-1.7,;-5.22,-.93,;-3.89,-1.7,;-2.55,-.93,;-2.55,.61,;-1.22,1.38,;-1.22,2.92,;.11,3.69,;.11,5.23,;1.45,2.92,;1.45,1.38,;.11,.61,;.11,-.93,;2.78,3.69,;1.45,4.46,;4.12,4.46,;4.12,2.92,;5.45,3.69,;6.86,3.07,;7.89,4.21,;7.12,5.55,;5.61,5.23,;-3.89,-3.24,;-5.22,-4.01,)| Show InChI InChI=1S/C17H22ClFN4O2S2/c1-20-12-4-2-11(3-5-12)10-22-15-9-14(19)16(8-13(15)18)27(24,25)23-17-21-6-7-26-17/h6-9,11-12,20,22H,2-5,10H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472937 (US10836758, Example 26) Show SMILES Fc1cc(NCC2CCC(CC2)N2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |(1.45,5.62,;1.45,4.08,;.11,3.31,;.11,1.77,;-1.22,1,;-1.22,-.54,;-2.55,-1.31,;-3.89,-.54,;-5.22,-1.31,;-5.22,-2.85,;-3.89,-3.62,;-2.55,-2.85,;-6.55,-3.62,;-7.89,-2.85,;-9.22,-3.62,;-9.22,-5.16,;-7.89,-5.93,;-6.55,-5.16,;1.45,1,;1.45,-.54,;2.78,1.77,;2.78,3.31,;4.12,4.08,;2.78,4.85,;5.45,4.85,;5.45,3.31,;6.78,4.08,;8.19,3.45,;9.22,4.6,;8.45,5.93,;6.94,5.61,)| Show InChI InChI=1S/C20H26ClFN4O3S2/c21-16-11-19(31(27,28)25-20-23-5-10-30-20)17(22)12-18(16)24-13-14-1-3-15(4-2-14)26-6-8-29-9-7-26/h5,10-12,14-15,24H,1-4,6-9,13H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472939 (US10836758, Example 28) Show SMILES NC1CCCC(C1)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-7-14(25(22,23)21-15-19-4-5-24-15)12(17)8-13(11)20-10-3-1-2-9(18)6-10/h4-5,7-10,20H,1-3,6,18H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472943 (US10836758, Example 32) Show SMILES NCC1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 Show InChI InChI=1S/C17H22ClFN4O2S2/c18-13-7-16(27(24,25)23-17-21-4-5-26-17)14(19)8-15(13)22-10-12-3-1-2-11(6-12)9-20/h4-5,7-8,11-12,22H,1-3,6,9-10,20H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472958 (US10836758, Example 47) Show SMILES Fc1cc(ccc1Cl)C1(CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CCNCC1 Show InChI InChI=1S/C21H20Cl2F2N4O3S2/c22-14-2-1-13(9-16(14)24)21(3-6-26-7-4-21)5-8-32-18-11-17(25)19(10-15(18)23)34(30,31)29-20-27-12-28-33-20/h1-2,9-12,26H,3-8H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261096 (CHEMBL4075332 | US10836758, Example 73) Show SMILES Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O4S3/c17-12-9-15(28(24,25)21-16-20-5-6-26-16)13(18)10-14(12)19-4-1-11-2-7-27(22,23)8-3-11/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472956 (US10836758, Example 45) Show SMILES Fc1cc(OCCC2(CCNCC2)c2ccc(Cl)cc2)c(Cl)cc1S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H21Cl2FN4O3S2/c22-15-3-1-14(2-4-15)21(5-8-25-9-6-21)7-10-31-18-12-17(24)19(11-16(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	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472938 (US10836758, Example 27) Show SMILES CN1CCN(CC1)C1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |(-9.89,-5.93,;-8.55,-5.16,;-8.55,-3.62,;-7.22,-2.85,;-5.89,-3.62,;-5.89,-5.16,;-7.22,-5.93,;-4.55,-2.85,;-4.55,-1.31,;-3.22,-.54,;-1.89,-1.31,;-.55,-.54,;-.55,1,;.78,1.77,;.78,3.31,;2.12,4.08,;2.12,5.62,;3.45,3.31,;3.45,1.77,;2.12,1,;2.12,-.54,;4.78,4.08,;3.45,4.85,;6.12,4.85,;6.12,3.31,;7.45,4.08,;8.86,3.45,;9.89,4.6,;9.12,5.93,;7.61,5.61,;-1.89,-2.85,;-3.22,-3.62,)| Show InChI InChI=1S/C21H29ClFN5O2S2/c1-27-7-9-28(10-8-27)16-4-2-15(3-5-16)14-25-19-13-18(23)20(12-17(19)22)32(29,30)26-21-24-6-11-31-21/h6,11-13,15-16,25H,2-5,7-10,14H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472986 (US10836758, Example 75) Show SMILES ON1CCCCC1CCNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H20ClFN4O3S2/c17-12-9-15(27(24,25)21-16-20-6-8-26-16)13(18)10-14(12)19-5-4-11-3-1-2-7-22(11)23/h6,8-11,19,23H,1-5,7H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261088 (CHEMBL4094490 | US10836758, Example 72) Show SMILES Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-3-11-2-1-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472936 (US10836758, Example 25) Show SMILES Fc1cc(NCC2CCC(CC2)N2CCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |(1.2,5.01,;1.2,3.47,;-.14,2.7,;-.14,1.16,;-1.47,.39,;-1.47,-1.15,;-2.81,-1.92,;-4.14,-1.15,;-5.47,-1.92,;-5.47,-3.46,;-4.14,-4.23,;-2.81,-3.46,;-6.81,-4.23,;-7.88,-3.14,;-8.97,-4.23,;-7.88,-5.32,;1.2,.39,;1.2,-1.15,;2.53,1.16,;2.53,2.7,;3.86,3.47,;2.53,4.24,;5.2,4.24,;5.2,2.7,;6.53,3.47,;7.94,2.84,;8.97,3.99,;8.2,5.32,;6.69,5,)| Show InChI InChI=1S/C19H24ClFN4O2S2/c20-15-10-18(29(26,27)24-19-22-6-9-28-19)16(21)11-17(15)23-12-13-2-4-14(5-3-13)25-7-1-8-25/h6,9-11,13-14,23H,1-5,7-8,12H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472972 (62 | US10836758, Example 61) Show SMILES NC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1 Show InChI InChI=1S/C22H22ClF3N4O3S2/c23-15-2-1-13(7-16(15)24)10-22(5-3-14(27)4-6-22)11-33-19-8-18(26)20(9-17(19)25)35(31,32)30-21-28-12-29-34-21/h1-2,7-9,12,14H,3-6,10-11,27H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472973 (US10836758, Example 62) Show SMILES NC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1 Show InChI InChI=1S/C22H22ClF3N4O3S2/c23-15-2-1-13(7-16(15)24)10-22(5-3-14(27)4-6-22)11-33-19-8-18(26)20(9-17(19)25)35(31,32)30-21-28-12-29-34-21/h1-2,7-9,12,14H,3-6,10-11,27H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472933 (US10836758, Example 22) Show SMILES Fc1cc(NCC2CCC(CC2)NC2CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |(.5,5.9,;.5,4.36,;-.83,3.59,;-.83,2.05,;-2.17,1.28,;-2.17,-.26,;-3.5,-1.03,;-4.83,-.26,;-6.17,-1.03,;-6.17,-2.57,;-4.83,-3.34,;-3.5,-2.57,;-7.5,-3.34,;-7.5,-4.88,;-8.27,-6.21,;-6.73,-6.21,;.5,1.28,;.5,-.26,;1.83,2.05,;1.83,3.59,;3.17,4.36,;1.83,5.13,;4.5,5.13,;4.5,3.59,;5.83,4.36,;7.24,3.73,;8.27,4.88,;7.5,6.21,;6,5.89,)| Show InChI InChI=1S/C19H24ClFN4O2S2/c20-15-9-18(29(26,27)25-19-22-7-8-28-19)16(21)10-17(15)23-11-12-1-3-13(4-2-12)24-14-5-6-14/h7-10,12-14,23-24H,1-6,11H2,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472920 (US10836758, Example 9) Show SMILES Fc1cc(NCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472963 (US10836758, Example 52) Show SMILES CNC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472974 (US10836758, Example 63) Show SMILES CNC1CCC(COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(Cc2ccc(Cl)c(F)c2)CC1 Show InChI InChI=1S/C23H24ClF3N4O3S2/c1-28-15-4-6-23(7-5-15,11-14-2-3-16(24)17(25)8-14)12-34-20-9-19(27)21(10-18(20)26)36(32,33)31-22-29-13-30-35-22/h2-3,8-10,13,15,28H,4-7,11-12H2,1H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472935 (US10836758, Example 24) Show SMILES CN(C)C1CCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |(-7.99,-2.58,;-7.59,-4.06,;-8.18,-5.49,;-6.26,-3.29,;-6.26,-1.75,;-4.93,-.98,;-3.59,-1.75,;-2.26,-.98,;-2.26,.56,;-.92,1.33,;-.92,2.87,;.41,3.64,;.41,5.18,;1.74,2.87,;1.74,1.33,;.41,.56,;.41,-.98,;3.08,3.64,;1.74,4.41,;4.41,4.41,;4.41,2.87,;5.74,3.64,;7.15,3.01,;8.18,4.15,;7.41,5.49,;5.91,5.17,;-3.59,-3.29,;-4.93,-4.06,)| Show InChI InChI=1S/C18H24ClFN4O2S2/c1-24(2)13-5-3-12(4-6-13)11-22-16-10-15(20)17(9-14(16)19)28(25,26)23-18-21-7-8-27-18/h7-10,12-13,22H,3-6,11H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472940 (US10836758, Example 29) Show SMILES NC1(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CCCCC1 Show InChI InChI=1S/C17H22ClFN4O2S2/c18-12-10-15(27(24,25)23-16-22-8-9-26-16)13(19)11-14(12)21-7-6-17(20)4-2-1-3-5-17/h8-11,21H,1-7,20H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261075 (CHEMBL4087220 | US10836758, Example 7) Show SMILES Fc1cc(NCC2COCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C14H15ClFN3O4S2/c15-10-5-13(25(20,21)19-14-17-1-4-24-14)11(16)6-12(10)18-7-9-8-22-2-3-23-9/h1,4-6,9,18H,2-3,7-8H2,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472967 (57 | US10836758, Example 56) Show SMILES CC1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CCC(N)CC1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472976 (US10836758, Example 65) Show SMILES Fc1cc(NC2CCC3CNCC23)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H18ClFN4O2S2/c17-11-5-15(26(23,24)22-16-20-3-4-25-16)12(18)6-14(11)21-13-2-1-9-7-19-8-10(9)13/h3-6,9-10,13,19,21H,1-2,7-8H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472946 (US10836758, Example 35) Show SMILES OC1(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CCCC1 Show InChI InChI=1S/C16H19ClFN3O3S2/c17-11-9-14(26(23,24)21-15-20-7-8-25-15)12(18)10-13(11)19-6-5-16(22)3-1-2-4-16/h7-10,19,22H,1-6H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472964 (US10836758, Example 53) Show SMILES Fc1cc(c(F)cc1OCCC1(CCC(CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472952 (US10836758, Example 41) Show SMILES Fc1cc(NCC23CCOC2OCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H17ClFN3O4S2/c17-10-7-13(27(22,23)21-15-19-3-6-26-15)11(18)8-12(10)20-9-16-1-4-24-14(16)25-5-2-16/h3,6-8,14,20H,1-2,4-5,9H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472957 (US10836758, Example 46) Show SMILES Fc1cc(ccc1Cl)C1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CCNCC1 Show InChI InChI=1S/C21H20ClF3N4O3S2/c22-14-2-1-13(9-15(14)23)21(3-6-26-7-4-21)5-8-32-18-10-17(25)19(11-16(18)24)34(30,31)29-20-27-12-28-33-20/h1-2,9-12,26H,3-8H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM472959 (US10836758, Example 48) Show SMILES OC1CCC(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F2N3O4S2/c23-17-13-20(33(29,30)27-21-25-14-26-32-21)18(24)12-19(17)31-11-10-22(8-6-16(28)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16,28H,6-11H2,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261129 (CHEMBL4064762 | US10836758, Example 71) Show SMILES Fc1cc(NCCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-9-15(26(22,23)21-16-20-5-8-25-16)13(18)10-14(12)19-4-1-11-2-6-24-7-3-11/h5,8-11,19H,1-4,6-7H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					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	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261137 (CHEMBL4102647 | US10836758, Example 11) Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50261122 (CHEMBL4073353 | US10836758, Example 37) Show SMILES Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-1-2-11-3-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020) BindingDB Entry DOI: 10.7270/Q2B56NTB
					More data for this Ligand-Target Pair

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