Compile Data Set for Download or QSAR
Found 1446 Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1C'
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
LigandPNGBDBM50318494(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
Affinity DataKi:  0.210nMMore data for this Ligand-Target Pair
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50318494(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
Affinity DataKi:  0.25nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesiclesMore data for this Ligand-Target Pair
LigandPNGBDBM82056(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,16,18H,10H2,1-5H3
Affinity DataKi:  0.330nMMore data for this Ligand-Target Pair
LigandPNGBDBM50318494(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
Affinity DataKi:  0.350nMMore data for this Ligand-Target Pair
LigandPNGBDBM82056(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,16,18H,10H2,1-5H3
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
LigandPNGBDBM50318493(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
Affinity DataKi:  0.560nMMore data for this Ligand-Target Pair
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  0.600nMMore data for this Ligand-Target Pair
LigandPNGBDBM50318493(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
Affinity DataKi:  0.790nMMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50016400(2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...)
Show SMILES CCOC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OCC
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)15-11(3)21-12(4)16(20(24)28-7-2)17(15)13-9-8-10-14(22(25)26)18(13)29-5/h8-10,17H,6-7H2,1-5H3,(H,21,23,24)
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesiclesMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesiclesMore data for this Ligand-Target Pair
LigandPNGBDBM50318494(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
Affinity DataKi:  1.76nMMore data for this Ligand-Target Pair
LigandPNGBDBM79180(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
Affinity DataKi:  2nMAssay Description:Binding affinity against rat L-type calcium channelMore data for this Ligand-Target Pair
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  2.06nMMore data for this Ligand-Target Pair
LigandPNGBDBM50231571(CHEMBL3350845)
Show SMILES CCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H24F3NO4/c1-5-6-11-29-20(27)17-13(3)25-12(2)16(19(26)28-4)18(17)14-9-7-8-10-15(14)21(22,23)24/h7-10,18,25H,5-6,11H2,1-4H3
Affinity DataKi:  2.20nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
LigandPNGBDBM50079458(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-1-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2cccc3ccccc23)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)16-15-21-13-10-12-20-11-8-9-14-22(20)21/h8-14,25,27H,6-7,15-16H2,1-5H3
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM50318493(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
Affinity DataKi:  2.28nMMore data for this Ligand-Target Pair
LigandPNGBDBM50231574(CHEMBL3350842)
Show SMILES CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C25H32F3NO4/c1-5-6-7-8-9-12-15-33-24(31)21-17(3)29-16(2)20(23(30)32-4)22(21)18-13-10-11-14-19(18)25(26,27)28/h10-11,13-14,22,29H,5-9,12,15H2,1-4H3
Affinity DataKi:  2.40nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
LigandPNGBDBM82057(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
Affinity DataKi:  2.40nMMore data for this Ligand-Target Pair
LigandPNGBDBM82056(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,16,18H,10H2,1-5H3
Affinity DataKi:  2.79nMMore data for this Ligand-Target Pair
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
Affinity DataKi:  3.5nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50079458(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-1-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2cccc3ccccc23)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)16-15-21-13-10-12-20-11-8-9-14-22(20)21/h8-14,25,27H,6-7,15-16H2,1-5H3
Affinity DataKi:  4.10nMAssay Description:Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.More data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S(Rattus norvegicus)
Prestwick Chemical Inc.

Curated by ChEMBL
LigandPNGBDBM50453799(Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
Affinity DataKi:  4.60nMAssay Description:Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM50079463(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
Affinity DataKi:  5.60nMAssay Description:Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.More data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50079463(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
Affinity DataKi:  6.90nMAssay Description:Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM26948(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
Affinity DataKi:  7.5nMMore data for this Ligand-Target Pair
LigandPNGBDBM50029426(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
Affinity DataKi:  8.30nMAssay Description:Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channelMore data for this Ligand-Target Pair
LigandPNGBDBM50079459(4-[5-(2-Biphenyl-4-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc(cc2)-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-15-22-13-16-24(17-14-22)23-11-9-8-10-12-23/h8-14,16-17,27,29H,6-7,15,18H2,1-5H3
Affinity DataKi:  8.70nMAssay Description:Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM50453799(Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
Affinity DataKi:  9nMAssay Description:Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.More data for this Ligand-Target Pair
LigandPNGBDBM82057(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
Affinity DataKi:  9.10nMMore data for this Ligand-Target Pair
LigandPNGBDBM50030617(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
Affinity DataKi: >10nMAssay Description:Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.More data for this Ligand-Target Pair
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
Affinity DataKi:  10.6nMMore data for this Ligand-Target Pair
LigandPNGBDBM50079464(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-2-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc3ccccc3c2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)15-13-20-12-14-21-10-8-9-11-22(21)16-20/h8-12,14,16,25,27H,6-7,13,15H2,1-5H3
Affinity DataKi:  11nMAssay Description:Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM50231573(CHEMBL3350846)
Show SMILES CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C27H36F3NO4/c1-5-6-7-8-9-10-11-14-17-35-26(33)23-19(3)31-18(2)22(25(32)34-4)24(23)20-15-12-13-16-21(20)27(28,29)30/h12-13,15-16,24,31H,5-11,14,17H2,1-4H3
Affinity DataKi:  14nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50013025(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3
Affinity DataKi:  14nMAssay Description:Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membraneMore data for this Ligand-Target Pair
LigandPNGBDBM50231570(CHEMBL3350843)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C31H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)27-23(3)35-22(2)26(29(36)38-4)28(27)24-19-16-17-20-25(24)31(32,33)34/h16-17,19-20,28,35H,5-15,18,21H2,1-4H3
Affinity DataKi:  16nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
LigandPNGBDBM50231572(CHEMBL3350844)
Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C29H40F3NO4/c1-5-6-7-8-9-10-11-12-13-16-19-37-28(35)25-21(3)33-20(2)24(27(34)36-4)26(25)22-17-14-15-18-23(22)29(30,31)32/h14-15,17-18,26,33H,5-13,16,19H2,1-4H3
Affinity DataKi:  17nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
LigandPNGBDBM50042750(CHEMBL410937 | {8-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H40F3N2O4/c1-19-23(26(34)36-6)25(21-15-11-12-16-22(21)28(29,30)31)24(20(2)32-19)27(35)37-18-14-10-8-7-9-13-17-33(3,4)5/h11-12,15-16,23,25H,7-10,13-14,17-18H2,1-6H3/q+1
Affinity DataKi:  17nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
LigandPNGBDBM50042752(CHEMBL122740 | {12-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H48F3N2O4/c1-23-27(30(38)40-6)29(25-19-15-16-20-26(25)32(33,34)35)28(24(2)36-23)31(39)41-22-18-14-12-10-8-7-9-11-13-17-21-37(3,4)5/h15-16,19-20,27,29H,7-14,17-18,21-22H2,1-6H3/q+1
Affinity DataKi:  17nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50079459(4-[5-(2-Biphenyl-4-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc(cc2)-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-15-22-13-16-24(17-14-22)23-11-9-8-10-12-23/h8-14,16-17,27,29H,6-7,15,18H2,1-5H3
Affinity DataKi:  18nMAssay Description:Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.More data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50079464(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-2-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc3ccccc3c2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)15-13-20-12-14-21-10-8-9-11-22(21)16-20/h8-12,14,16,25,27H,6-7,13,15H2,1-5H3
Affinity DataKi:  20nMAssay Description:Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM82061(CAS_119442 | D600 | GALLOPAMIL | NSC_119442)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
Affinity DataKi:  21.4nMMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S(Homo sapiens (Human))
State University of New York

Curated by ChEMBL
LigandPNGBDBM50013025(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3
Affinity DataKi:  22nMAssay Description:Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.More data for this Ligand-Target Pair
LigandPNGBDBM82061(CAS_119442 | D600 | GALLOPAMIL | NSC_119442)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
Affinity DataKi:  22.5nMMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50079462(2,6-Dimethyl-4-(3-methyl-5-phenethyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C25H30N2O5/c1-6-30-24(28)21-15(3)26-16(4)22(25(29)31-7-2)23(21)20-17(5)27-32-19(20)14-13-18-11-9-8-10-12-18/h8-12,21,23H,6-7,13-14H2,1-5H3
Affinity DataKi:  23nMAssay Description:Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM50079462(2,6-Dimethyl-4-(3-methyl-5-phenethyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C25H30N2O5/c1-6-30-24(28)21-15(3)26-16(4)22(25(29)31-7-2)23(21)20-17(5)27-32-19(20)14-13-18-11-9-8-10-12-18/h8-12,21,23H,6-7,13-14H2,1-5H3
Affinity DataKi:  25nMAssay Description:Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.More data for this Ligand-Target Pair
LigandPNGBDBM50029415((6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1...)
Show SMILES CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23ClN2S/c1-28(2)18-21-16-17-24-26(19-10-5-3-6-11-19,20-12-7-4-8-13-20)30-25-22(27)14-9-15-23(25)29(21)24/h3-17H,18H2,1-2H3
Affinity DataKi:  26nMAssay Description:Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channelMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50013022(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
Affinity DataKi:  27nMAssay Description:Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membraneMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50013022(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
Affinity DataKi:  29nMAssay Description:Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.More data for this Ligand-Target Pair
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