Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) with all data for entry = 50040408
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357206(CHEMBL1915083 | CHEMBL1962378)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H38N2O3/c38-31(27-40-34-19-11-10-18-32(34)33(39)21-20-28-12-4-1-5-13-28)26-36-22-24-37(25-23-36)35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-19,31,35,38H,20-27H2
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357204(CHEMBL1914835 | CHEMBL1963280)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-26(21-30-19-17-25(18-20-30)24-11-5-2-6-12-24)22-33-29-14-8-7-13-27(29)28(32)16-15-23-9-3-1-4-10-23/h1-14,25-26,31H,15-22H2
Affinity DataIC50: 3.46E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357205(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
Affinity DataIC50: 4.31E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357207(CHEMBL1915364 | CHEMBL1963307)
Show SMILES OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37FN2O3/c36-30-17-19-34(32(24-30)33(40)18-16-27-10-4-1-5-11-27)41-26-31(39)25-37-20-22-38(23-21-37)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,17,19,24,31,35,39H,16,18,20-23,25-26H2
Affinity DataIC50: 4.84E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357204(CHEMBL1914835 | CHEMBL1963280)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-26(21-30-19-17-25(18-20-30)24-11-5-2-6-12-24)22-33-29-14-8-7-13-27(29)28(32)16-15-23-9-3-1-4-10-23/h1-14,25-26,31H,15-22H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as phasic inhibition by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357205(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as phasic inhibition by patch clamp assayMore data for this Ligand-Target Pair
TargetATP-sensitive inward rectifier potassium channel 11(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357207(CHEMBL1915364 | CHEMBL1963307)
Show SMILES OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37FN2O3/c36-30-17-19-34(32(24-30)33(40)18-16-27-10-4-1-5-11-27)41-26-31(39)25-37-20-22-38(23-21-37)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,17,19,24,31,35,39H,16,18,20-23,25-26H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Kir6.2 by patch clamp assayMore data for this Ligand-Target Pair
TargetATP-sensitive inward rectifier potassium channel 11(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357204(CHEMBL1914835 | CHEMBL1963280)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-26(21-30-19-17-25(18-20-30)24-11-5-2-6-12-24)22-33-29-14-8-7-13-27(29)28(32)16-15-23-9-3-1-4-10-23/h1-14,25-26,31H,15-22H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Kir6.2 by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357207(CHEMBL1915364 | CHEMBL1963307)
Show SMILES OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37FN2O3/c36-30-17-19-34(32(24-30)33(40)18-16-27-10-4-1-5-11-27)41-26-31(39)25-37-20-22-38(23-21-37)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,17,19,24,31,35,39H,16,18,20-23,25-26H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as phasic inhibition by patch clamp assayMore data for this Ligand-Target Pair
TargetATP-sensitive inward rectifier potassium channel 11(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357205(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Kir6.2 by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357204(CHEMBL1914835 | CHEMBL1963280)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-26(21-30-19-17-25(18-20-30)24-11-5-2-6-12-24)22-33-29-14-8-7-13-27(29)28(32)16-15-23-9-3-1-4-10-23/h1-14,25-26,31H,15-22H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as tonic inhibition by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357207(CHEMBL1915364 | CHEMBL1963307)
Show SMILES OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37FN2O3/c36-30-17-19-34(32(24-30)33(40)18-16-27-10-4-1-5-11-27)41-26-31(39)25-37-20-22-38(23-21-37)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,17,19,24,31,35,39H,16,18,20-23,25-26H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as tonic inhibition by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50357205(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Nav1.5 assessed as tonic inhibition by patch clamp assayMore data for this Ligand-Target Pair