Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50029053
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50045292((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1
Affinity DataIC50: 0.200nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281001((S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(CC1)c1cccc2ccccc12)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C35H52N4O7S/c1-4-8-30(37-33(41)23-36-47(44,45)39-17-19-46-20-18-39)35(43)38-31(34(42)32(40)21-24(2)3)22-25-13-15-27(16-14-25)29-12-7-10-26-9-5-6-11-28(26)29/h4-7,9-12,24-25,27,30-32,34,36,40,42H,1,8,13-23H2,2-3H3,(H,37,41)(H,38,43)/t25?,27?,30-,31-,32-,34+/m0/s1
Affinity DataIC50: 11nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50280999((S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(=CC1)c1ccccc1)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H48N4O7S/c1-4-8-26(33-29(37)21-32-43(40,41)35-15-17-42-18-16-35)31(39)34-27(30(38)28(36)19-22(2)3)20-23-11-13-25(14-12-23)24-9-6-5-7-10-24/h4-7,9-10,13,22-23,26-28,30,32,36,38H,1,8,11-12,14-21H2,2-3H3,(H,33,37)(H,34,39)/t23?,26-,27-,28-,30+/m0/s1
Affinity DataIC50: 19nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281002((S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(CC1)c1ccccc1)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H50N4O7S/c1-4-8-26(33-29(37)21-32-43(40,41)35-15-17-42-18-16-35)31(39)34-27(30(38)28(36)19-22(2)3)20-23-11-13-25(14-12-23)24-9-6-5-7-10-24/h4-7,9-10,22-23,25-28,30,32,36,38H,1,8,11-21H2,2-3H3,(H,33,37)(H,34,39)/t23?,25?,26-,27-,28-,30+/m0/s1
Affinity DataIC50: 61nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281000((S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C25H46N4O7S/c1-4-8-20(27-23(31)17-26-37(34,35)29-11-13-36-14-12-29)25(33)28-21(16-19-9-6-5-7-10-19)24(32)22(30)15-18(2)3/h4,18-22,24,26,30,32H,1,5-17H2,2-3H3,(H,27,31)(H,28,33)/t20-,21-,22-,24+/m0/s1
Affinity DataIC50: 82nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50280998((S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(Cc2ccccc2)CC1)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-8-27(34-30(38)22-33-44(41,42)36-15-17-43-18-16-36)32(40)35-28(31(39)29(37)19-23(2)3)21-26-13-11-25(12-14-26)20-24-9-6-5-7-10-24/h4-7,9-10,23,25-29,31,33,37,39H,1,8,11-22H2,2-3H3,(H,34,38)(H,35,40)/t25?,26?,27-,28-,29-,31+/m0/s1
Affinity DataIC50: 202nMAssay Description:The compound was evaluated for inhibitory activity against monkey plasma renin.More data for this Ligand-Target Pair