Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50040827
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400763(CHEMBL2204275)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O
Show InChI InChI=1S/C28H31N5O3/c29-18-20-8-10-22(11-9-20)32-15-13-31(14-16-32)19-21-17-23(28(36)33-12-4-3-6-25(21)33)27(35)30-24-5-1-2-7-26(24)34/h3-4,6,8-12,17,24,26,34H,1-2,5,7,13-16,19H2,(H,30,35)/t24-,26-/m0/s1
Affinity DataIC50: 390nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400762(CHEMBL2204277)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3ccccc3cn2)c2ccccn2c1=O
Show InChI InChI=1S/C30H33N5O3/c36-27-11-4-3-9-25(27)32-29(37)24-17-23(26-10-5-6-12-35(26)30(24)38)20-33-13-15-34(16-14-33)28-18-21-7-1-2-8-22(21)19-31-28/h1-2,5-8,10,12,17-19,25,27,36H,3-4,9,11,13-16,20H2,(H,32,37)/t25-,27-/m0/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400761(CHEMBL2203589)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccc2)c2ccccn2c1=O
Show InChI InChI=1S/C29H32N4O3/c30-20-29(22-8-2-1-3-9-22)13-16-32(17-14-29)19-21-18-23(28(36)33-15-7-6-11-25(21)33)27(35)31-24-10-4-5-12-26(24)34/h1-3,6-9,11,15,18,24,26,34H,4-5,10,12-14,16-17,19H2,(H,31,35)/t24-,26-/m0/s1
Affinity DataIC50: 5.10E+3nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400760(CHEMBL2204276)
Show SMILES Cc1ccc(nc1)N1CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n3ccccc23)CC1
Show InChI InChI=1S/C27H33N5O3/c1-19-9-10-25(28-17-19)31-14-12-30(13-15-31)18-20-16-21(27(35)32-11-5-4-7-23(20)32)26(34)29-22-6-2-3-8-24(22)33/h4-5,7,9-11,16-17,22,24,33H,2-3,6,8,12-15,18H2,1H3,(H,29,34)/t22-,24-/m0/s1
Affinity DataIC50: 1.15E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400759(CHEMBL2204278)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3scnc3cn2)c2ccccn2c1=O
Show InChI InChI=1S/C27H30N6O3S/c34-23-7-2-1-5-20(23)30-26(35)19-13-18(22-6-3-4-8-33(22)27(19)36)16-31-9-11-32(12-10-31)25-14-24-21(15-28-25)29-17-37-24/h3-4,6,8,13-15,17,20,23,34H,1-2,5,7,9-12,16H2,(H,30,35)/t20-,23-/m0/s1
Affinity DataIC50: 1.31E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400758(CHEMBL2203585)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O
Show InChI InChI=1S/C28H31N5O3/c29-19-28(25-10-3-5-13-30-25)11-15-32(16-12-28)18-20-17-21(27(36)33-14-6-4-8-23(20)33)26(35)31-22-7-1-2-9-24(22)34/h3-6,8,10,13-14,17,22,24,34H,1-2,7,9,11-12,15-16,18H2,(H,31,35)/t22-,24-/m0/s1
Affinity DataIC50: 1.64E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair