Compile Data Set for Download or QSAR
Found 408 Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 1/2/3 subunit alpha'
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473868(CHEMBL339108)
Show SMILES CC1(C)[C@H]2Cc3c(O)cccc3C1(C)CCN2CCOCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-23(2)22-16-19-20(10-7-11-21(19)26)24(23,3)12-13-25(22)14-15-27-17-18-8-5-4-6-9-18/h4-11,22,26H,12-17H2,1-3H3/t22-,24?/m1/s1
Affinity DataKi:  20nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473870(CHEMBL2112617)
Show SMILES C[C@@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25?/m0/s1
Affinity DataKi:  43nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473882(CHEMBL126206)
Show SMILES CC(CN1CCC2(C)C[C@@H]1Cc1c(O)cccc21)OCc1ccccc1
Show InChI InChI=1S/C23H29NO2/c1-17(26-16-18-7-4-3-5-8-18)15-24-12-11-23(2)14-19(24)13-20-21(23)9-6-10-22(20)25/h3-10,17,19,25H,11-16H2,1-2H3/t17?,19-,23?/m0/s1
Affinity DataKi:  47nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473876(CHEMBL2112614)
Show SMILES C[C@@H](CN1CCC2(C)C(C)[C@H]1Cc1c(O)cccc21)OCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-16-19-8-5-4-6-9-19)15-25-13-12-24(3)18(2)22(25)14-20-21(24)10-7-11-23(20)26/h4-11,17-18,22,26H,12-16H2,1-3H3/t17-,18?,22+,24?/m0/s1
Affinity DataKi:  54nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473890(CHEMBL2111820)
Show SMILES C[C@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23-,25?/m1/s1
Affinity DataKi:  114nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473866(CHEMBL2112613)
Show SMILES C[C@@H](CN1CCC2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22+,24?/m0/s1
Affinity DataKi:  149nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473883(CHEMBL2111817)
Show SMILES C[C@H](CN1CCC2(C)C(C)[C@H]1Cc1c(O)cccc21)OCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-16-19-8-5-4-6-9-19)15-25-13-12-24(3)18(2)22(25)14-20-21(24)10-7-11-23(20)26/h4-11,17-18,22,26H,12-16H2,1-3H3/t17-,18?,22-,24?/m1/s1
Affinity DataKi:  153nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50066066((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...)
Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1
Affinity DataKi:  203nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473881(CHEMBL2112615)
Show SMILES C[C@@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCC1CCCCC1
Show InChI InChI=1S/C25H39NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h8,11-12,18-19,23,27H,5-7,9-10,13-17H2,1-4H3/t18-,23+,25?/m0/s1
Affinity DataKi:  208nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473879(CHEMBL2111818)
Show SMILES C[C@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCC1CCCCC1
Show InChI InChI=1S/C25H39NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h8,11-12,18-19,23,27H,5-7,9-10,13-17H2,1-4H3/t18-,23-,25?/m1/s1
Affinity DataKi:  241nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473869(Lifarizine | RS-87476-000)
Show SMILES Cc1nc([nH]c1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32N4/c1-22-13-15-26(16-14-22)29-30-23(2)27(31-29)21-32-17-19-33(20-18-32)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,28H,17-21H2,1-2H3,(H,30,31)
Affinity DataKi:  259nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473875(CHEMBL2111814)
Show SMILES C[C@@H](CN1CCC2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23+,25?/m0/s1
Affinity DataKi:  312nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473894(CHEMBL2112628)
Show SMILES C[C@H](CN1CCC2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23-,25?/m1/s1
Affinity DataKi:  382nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473888(CHEMBL2111816)
Show SMILES C[C@H](CN1CCC2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22-,24?/m1/s1
Affinity DataKi:  662nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473891(CHEMBL2112624)
Show SMILES CO[C@@H](C)CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17+,19?/m0/s1
Affinity DataKi:  783nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473872(CHEMBL2111815)
Show SMILES C[C@H](CN1CCC2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22+,24?/m1/s1
Affinity DataKi:  864nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473880(CHEMBL421078)
Show SMILES CC1(C)[C@H]2Cc3cc(O)ccc3C1(C)CCN2CCc1ccccc1
Show InChI InChI=1S/C23H29NO/c1-22(2)21-16-18-15-19(25)9-10-20(18)23(22,3)12-14-24(21)13-11-17-7-5-4-6-8-17/h4-10,15,21,25H,11-14,16H2,1-3H3/t21-,23?/m1/s1
Affinity DataKi:  1.06E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473877(CHEMBL2111813)
Show SMILES C[C@H](CN1CCC2(C)c3ccc(O)cc3C[C@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23+,25?/m1/s1
Affinity DataKi:  1.23E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473889(CHEMBL332216)
Show SMILES CC1(C)[C@@H]2Cc3cc(O)ccc3C1(C)CCN2CCc1ccccc1
Show InChI InChI=1S/C23H29NO/c1-22(2)21-16-18-15-19(25)9-10-20(18)23(22,3)12-14-24(21)13-11-17-7-5-4-6-8-17/h4-10,15,21,25H,11-14,16H2,1-3H3/t21-,23?/m0/s1
Affinity DataKi:  1.29E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473887(CHEMBL2112616)
Show SMILES C[C@@H](CN1CCC2(C)c3cccc(O)c3C[C@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23-,25?/m0/s1
Affinity DataKi:  1.33E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473886(CHEMBL2111819)
Show SMILES C[C@H](CN1CCC2(C)c3cccc(O)c3C[C@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25?/m1/s1
Affinity DataKi:  1.49E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473878(CHEMBL2112629)
Show SMILES C[C@@H](CN1CCC2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22-,24?/m0/s1
Affinity DataKi:  1.53E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473885(CHEMBL2112618)
Show SMILES C[C@@H](CN1CCC2(C)c3ccc(O)cc3C[C@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23-,25?/m0/s1
Affinity DataKi:  1.87E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473873(CHEMBL2111821)
Show SMILES CO[C@H](C)CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17-,19?/m1/s1
Affinity DataKi:  3.31E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50066430(2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...)
Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
Affinity DataKi:  4.00E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473874(CHEMBL607229)
Show SMILES CO[C@@H](C)CN1CCC2(C)c3ccccc3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO/c1-14(21-5)13-20-11-10-19(4)16-9-7-6-8-15(16)12-17(20)18(19,2)3/h6-9,14,17H,10-13H2,1-5H3/t14-,17+,19?/m0/s1
Affinity DataKi:  4.70E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50366613(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
Affinity DataKi:  4.80E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473884(CHEMBL421633)
Show SMILES COC(C)CN1CCC2(C)c3cc(O)ccc3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-9-8-19(4)16-11-15(21)7-6-14(16)10-17(20)18(19,2)3/h6-7,11,13,17,21H,8-10,12H2,1-5H3/t13?,17-,19?/m1/s1
Affinity DataKi:  6.01E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473892(CHEMBL125438)
Show SMILES COC(C)CN1CCC2(C)c3c(O)cccc3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)17-14(7-6-8-15(17)21)11-16(20)18(19,2)3/h6-8,13,16,21H,9-12H2,1-5H3/t13?,16-,19?/m1/s1
Affinity DataKi:  8.99E+3nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473890(CHEMBL2111820)
Show SMILES C[C@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23-,25?/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-TTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473893(CHEMBL122442)
Show SMILES CO[C@H](C)CN1CCC2(C)c3cccc(O)c3C[C@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17+,19?/m1/s1
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473868(CHEMBL339108)
Show SMILES CC1(C)[C@H]2Cc3c(O)cccc3C1(C)CCN2CCOCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-23(2)22-16-19-20(10-7-11-21(19)26)24(23,3)12-13-25(22)14-15-27-17-18-8-5-4-6-9-18/h4-11,22,26H,12-17H2,1-3H3/t22-,24?/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-TTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473870(CHEMBL2112617)
Show SMILES C[C@@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25?/m0/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-TTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473871(CHEMBL607230)
Show SMILES CO[C@@H](C)CN1CCC2(C)c3cccc(O)c3C[C@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17-,19?/m0/s1
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50473867(CHEMBL333992)
Show SMILES COC(C)CN1CCC2(C)c3ccc(O)cc3C[C@@H]1C2(C)C
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-9-8-19(4)16-7-6-15(21)10-14(16)11-17(20)18(19,2)3/h6-7,10,13,17,21H,8-9,11-12H2,1-5H3/t13?,17-,19?/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50117271(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Show SMILES CC(N)COc1c(C)cccc1C
Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
Affinity DataKi:  2.27E+4nMAssay Description:Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomesMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223720(CHEMBL332257)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H34N2/c1-3-5-8-14-24(15-9-6-4-2)26-27-20-25(28-26)23-18-16-22(17-19-23)21-12-10-7-11-13-21/h7,10-13,16-20,24H,3-6,8-9,14-15H2,1-2H3,(H,27,28)
Affinity DataIC50: 8nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12
Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
Affinity DataIC50: 15.0nMAssay Description:Inhibitory concentration against synaptosomes using [3H]PbTx-3More data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12
Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
Affinity DataIC50: 15.0nMAssay Description:Inhibitory concentration against synaptosome using [3H]PbTx-3More data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223731(CHEMBL118603)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-3-4-8-11-21-22-16-20(23-21)19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16H,2-4,8,11H2,1H3,(H,22,23)
Affinity DataIC50: 16nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223721(CHEMBL331513)
Show SMILES C(CC1CCCCC1)Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H28N2/c1-3-8-19(9-4-1)10-7-13-24-25-18-23(26-24)22-16-14-21(15-17-22)20-11-5-2-6-12-20/h2,5-6,11-12,14-19H,1,3-4,7-10,13H2,(H,25,26)
Affinity DataIC50: 19nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223726(CHEMBL117331)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H29FN2/c1-3-5-7-9-17(10-8-6-4-2)20-22-15-19(23-20)16-11-13-18(21)14-12-16/h11-15,17H,3-10H2,1-2H3,(H,22,23)
Affinity DataIC50: 25nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223735(CHEMBL119139)
Show SMILES C(Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C23H26N2/c1-3-7-18(8-4-1)11-16-23-24-17-22(25-23)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h2,5-6,9-10,12-15,17-18H,1,3-4,7-8,11,16H2,(H,24,25)
Affinity DataIC50: 26nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223734(CHEMBL331942)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C19H28N2/c1-4-5-6-7-8-19-20-14-18(21-19)17-11-9-16(10-12-17)13-15(2)3/h9-12,14-15H,4-8,13H2,1-3H3,(H,20,21)
Affinity DataIC50: 28nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223733(CHEMBL120306)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H30N2/c1-6-8-16(9-7-2)19-21-14-18(22-19)15-10-12-17(13-11-15)20(3,4)5/h10-14,16H,6-9H2,1-5H3,(H,21,22)
Affinity DataIC50: 30nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223722(CHEMBL334104)
Show SMILES C(C1CCCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-22-23-16-21(24-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,16-17H,1,3-4,7-8,15H2,(H,23,24)
Affinity DataIC50: 70nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50143966(2-Chloro-N-[2-{4-[3-(4-fluoro-phenoxy)-2-hydroxy-p...)
Show SMILES OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N3O4S/c29-25-3-1-2-4-27(25)41(38,39)34-17-26(20-5-7-21(8-6-20)28(31,32)33)36-15-13-35(14-16-36)18-23(37)19-40-24-11-9-22(30)10-12-24/h1-12,23,26,34,37H,13-19H2
Affinity DataIC50: 76nMAssay Description:In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membraneMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223723(CHEMBL119494)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H30N2/c1-3-5-8-14-18(15-9-6-4-2)20-21-16-19(22-20)17-12-10-7-11-13-17/h7,10-13,16,18H,3-6,8-9,14-15H2,1-2H3,(H,21,22)
Affinity DataIC50: 86nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50143963(CHEMBL64869 | N-[2-{4-[3-(4-Bromo-phenoxy)-2-hydro...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H33BrF3N3O4S/c1-21-3-2-4-27(17-21)41(38,39)34-18-28(22-5-7-23(8-6-22)29(31,32)33)36-15-13-35(14-16-36)19-25(37)20-40-26-11-9-24(30)10-12-26/h2-12,17,25,28,34,37H,13-16,18-20H2,1H3
Affinity DataIC50: 95nMAssay Description:Inhibitory concentration against [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in vitro in rat cerebral cortex membrane at ...More data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Boehringer Ingelheim Pharma KG

Curated by ChEMBL
LigandPNGBDBM50223725(CHEMBL118682)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-3-8-20(9-4-2)22-23-16-21(24-22)19-14-12-18(13-15-19)17-10-6-5-7-11-17/h5-7,10-16,20H,3-4,8-9H2,1-2H3,(H,23,24)
Affinity DataIC50: 100nMAssay Description:Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brainMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 408 total ) | Next | Last >>
Jump to: