Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Pepsin A
(Porcine) | BDBM50022293
(CHEMBL124266 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C34H58N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-29,31,39H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27?,28-,29-,31?/m0/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022305
(CHEMBL123739 | N-{2-Hydroxy-1-isobutyl-4-[1-(2-iso...)Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)[C@@H](O)CC(C)C(=O)NC(C)C(=O)NC(=O)C(C)C Show InChI InChI=1S/C27H50N4O6/c1-14(2)11-20(29-27(37)23(16(5)6)30-22(33)12-15(3)4)21(32)13-18(9)25(35)28-19(10)26(36)31-24(34)17(7)8/h14-21,23,32H,11-13H2,1-10H3,(H,28,35)(H,29,37)(H,30,33)(H,31,34,36)/t18?,19?,20-,21-,23?/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022302
(CHEMBL339356 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C28H54N4O5/c1-16(2)11-12-29-27(36)21(10)30-26(35)20(9)15-23(33)22(13-17(3)4)31-28(37)25(19(7)8)32-24(34)14-18(5)6/h16-23,25,33H,11-15H2,1-10H3,(H,29,36)(H,30,35)(H,31,37)(H,32,34)/t20?,21?,22-,23-,25?/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022296
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19?,20?,21-,24?/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pepsin was determined |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022301
(3-Methyl-2-(3-methyl-butyrylamino)-N-[3-methyl-1-(...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C)CC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C28H52N4O5/c1-16(2)11-12-29-27(36)21(10)30-26(35)20(9)15-23(33)22(13-17(3)4)31-28(37)25(19(7)8)32-24(34)14-18(5)6/h16-22,25H,11-15H2,1-10H3,(H,29,36)(H,30,35)(H,31,37)(H,32,34)/t20?,21?,22-,25?/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022306
(CHEMBL123526 | N-{2-Hydroxy-1-isobutyl-4-[1-(3-met...)Show SMILES CC(C)CCNC(=O)C(C)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C25H49N3O4/c1-15(2)10-11-26-24(31)19(9)14-21(29)20(12-16(3)4)27-25(32)23(18(7)8)28-22(30)13-17(5)6/h15-21,23,29H,10-14H2,1-9H3,(H,26,31)(H,27,32)(H,28,30)/t19?,20-,21-,23?/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022300
(CHEMBL333332 | N-[2-Hydroxy-1-isobutyl-4-({[1-(3-m...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H52N4O5/c1-16(2)12-13-28-26(35)20(9)29-23(33)11-10-22(32)21(14-17(3)4)30-27(36)25(19(7)8)31-24(34)15-18(5)6/h16-22,25,32H,10-15H2,1-9H3,(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t20?,21-,22-,25?/m0/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022291
(CHEMBL123741 | N-[1-(1-Hydroxy-2-{1-[(isobutyrylca...)Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)[C@@H](O)CC(C)C(=O)NCC(=O)NC(=O)C(C)C Show InChI InChI=1S/C26H48N4O6/c1-14(2)10-19(28-26(36)23(16(5)6)29-21(32)11-15(3)4)20(31)12-18(9)25(35)27-13-22(33)30-24(34)17(7)8/h14-20,23,31H,10-13H2,1-9H3,(H,27,35)(H,28,36)(H,29,32)(H,30,33,34)/t18?,19-,20-,23?/m0/s1 | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022303
(6-Methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-but...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(=O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H48N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-20,24H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32) | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022299
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCNC(=O)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C25H48N4O5/c1-15(2)9-10-26-23(33)14-27-21(31)13-20(30)19(11-16(3)4)28-25(34)24(18(7)8)29-22(32)12-17(5)6/h15-20,24,30H,9-14H2,1-8H3,(H,26,33)(H,27,31)(H,28,34)(H,29,32)/t19?,20-,24?/m0/s1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022298
(3-Methyl-2-(3-methyl-butyrylamino)-N-[3-methyl-1-(...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(CC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C34H56N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-28,31H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27?,28-,31?/m0/s1 | PDB
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022297
(CHEMBL127888 | N-(1-{2-[1-(2-Isobutyrylamino-1-met...)Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)NC(=O)C(C)C Show InChI InChI=1S/C27H48N4O6/c1-14(2)11-20(29-27(37)23(16(5)6)30-22(33)12-15(3)4)21(32)13-18(9)25(35)28-19(10)26(36)31-24(34)17(7)8/h14-20,23H,11-13H2,1-10H3,(H,28,35)(H,29,37)(H,30,33)(H,31,34,36)/t18?,19?,20-,23?/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022304
(CHEMBL124945 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C34H58N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-29,31,39H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27-,28+,29+,31?/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022294
(3-Methyl-2-(3-methyl-butyrylamino)-N-[3-methyl-1-(...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C34H56N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-28,31H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27-,28+,31?/m1/s1 | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022292
(3-Methyl-2-(3-methyl-butyrylamino)-N-{3-methyl-1-[...)Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H50N4O5/c1-16(2)12-13-28-26(35)20(9)29-23(33)11-10-22(32)21(14-17(3)4)30-27(36)25(19(7)8)31-24(34)15-18(5)6/h16-21,25H,10-15H2,1-9H3,(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t20?,21-,25?/m0/s1 | PDB
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| 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50022295
(2-{2-[2-Benzyloxycarbonylamino-3-(3H-imidazol-4-yl...)Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H35N5O6/c1-43-32(41)29(18-24-13-7-3-8-14-24)37-30(39)27(17-23-11-5-2-6-12-23)36-31(40)28(19-26-20-34-22-35-26)38-33(42)44-21-25-15-9-4-10-16-25/h2-16,20,22,27-29H,17-19,21H2,1H3,(H,34,35)(H,36,40)(H,37,39)(H,38,42)/t27-,28-,29+/m0/s1 | PDB
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| 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pepsin substrate ZHis-Phe-DPhe-oMe was determined |
J Med Chem 30: 374-83 (1987)
BindingDB Entry DOI: 10.7270/Q2KP815G |
More data for this
Ligand-Target Pair | |
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