Found 176 hits of ic50 for UniProtKB: P08419 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073123
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073123
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1 | PDB
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PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073123
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1 | PDB
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| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075109
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073139
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075112
(1,1-dimethyl-2-propylcarboxamidooctanoic anhydride...)Show SMILES CCCCCC(NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)CCC Show InChI InChI=1S/C28H52N2O5/c1-9-13-15-19-21(29-23(31)17-11-3)27(5,6)25(33)35-26(34)28(7,8)22(20-16-14-10-2)30-24(32)18-12-4/h21-22H,9-20H2,1-8H3,(H,29,31)(H,30,32) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075118
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34) | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50071966
((R)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27-,28-,31-,32-/m0/s1 | PDB
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| n/a | n/a | <60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 8: 2719-24 (1999)
BindingDB Entry DOI: 10.7270/Q2V69HRX |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50071973
((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C33H49F5N6O11/c1-7-10-18(26(50)32(34,35)33(36,37)38)40-29(53)21-11-9-12-44(21)31(55)24(15(3)4)42-30(54)25(16(5)8-2)43-28(52)20(14-23(48)49)41-27(51)19(13-22(46)47)39-17(6)45/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,39,45)(H,40,53)(H,41,51)(H,42,54)(H,43,52)(H,46,47)(H,48,49)/t16-,18-,19-,20+,21-,24-,25-/m0/s1 | PDB
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| n/a | n/a | <60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 8: 2719-24 (1999)
BindingDB Entry DOI: 10.7270/Q2V69HRX |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50071968
((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27+,28-,31-,32-/m0/s1 | PDB
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| n/a | n/a | <60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 8: 2719-24 (1999)
BindingDB Entry DOI: 10.7270/Q2V69HRX |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075114
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38) | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075106
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075106
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061511
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1 Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd.
Curated by ChEMBL
| Assay Description
Activity against serine protease porcine pancreatic elastase (PPE) |
J Med Chem 40: 4113-35 (1998)
Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061512
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd.
Curated by ChEMBL
| Assay Description
Activity against serine protease porcine pancreatic elastase (PPE) |
J Med Chem 40: 4113-35 (1998)
Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285111
((2S,5R,6S)-6-Methanesulfonyloxy-3,3-dimethyl-4,4,7...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OS(C)(=O)=O)C2=O)S1(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H19NO8S2/c1-16(2)12(15(19)24-9-10-7-5-4-6-8-10)17-13(18)11(25-26(3,20)21)14(17)27(16,22)23/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50281044
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075104
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075111
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47| Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50071983
((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C32H49F3N6O11/c1-7-10-18(26(47)32(33,34)35)37-29(50)21-11-9-12-41(21)31(52)24(15(3)4)39-30(51)25(16(5)8-2)40-28(49)20(14-23(45)46)38-27(48)19(13-22(43)44)36-17(6)42/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,36,42)(H,37,50)(H,38,48)(H,39,51)(H,40,49)(H,43,44)(H,45,46)/t16-,18-,19-,20+,21-,24-,25-/m0/s1 | PDB
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Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 8: 2719-24 (1999)
BindingDB Entry DOI: 10.7270/Q2V69HRX |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073127
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-12-15-27(34-28(35)25-18-16-24(21-32)17-19-25)31(4,5)30(37)33-26(29(36)38-22(2)3)20-23-13-10-9-11-14-23/h9-11,13-14,16-19,22,26-27H,6-8,12,15,20H2,1-5H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1 | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061528
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1 Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1 | PDB
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Boehringer Ingelheim Ltd.
Curated by ChEMBL
| Assay Description
Activity against serine protease porcine pancreatic elastase (PPE) |
J Med Chem 40: 4113-35 (1998)
Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061509
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1 Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1 | PDB
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Boehringer Ingelheim Ltd.
Curated by ChEMBL
| Assay Description
Activity against serine protease porcine pancreatic elastase (PPE) |
J Med Chem 40: 4113-35 (1998)
Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075110
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075105
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1 Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073126
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC Show InChI InChI=1S/C31H41N3O4/c1-5-7-8-12-15-27(34-28(35)25-18-16-24(22-32)17-19-25)31(3,4)30(37)33-26(29(36)38-20-6-2)21-23-13-10-9-11-14-23/h9-11,13-14,16-19,26-27H,5-8,12,15,20-21H2,1-4H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1 | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061497
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1 Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1 | PDB
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Boehringer Ingelheim Ltd.
Curated by ChEMBL
| Assay Description
Activity against serine protease porcine pancreatic elastase (PPE) |
J Med Chem 40: 4113-35 (1998)
Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50015856
(3-Acetoxymethyl-7-formyloxy-5,5,8-trioxo-5lambda*6...)Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C15H19NO9S/c1-8(18)23-5-9-6-26(21,22)13-11(24-7-17)12(19)16(13)10(9)14(20)25-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1 | PDB
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Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE) |
J Med Chem 33: 2513-21 (1990)
BindingDB Entry DOI: 10.7270/Q2Q81C2Q |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285107
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C21H27NO10S2/c1-12-7-9-13(10-8-12)34(28,29)32-14-16(23)22-15(21(5,6)33(26,27)17(14)22)18(24)30-11-31-19(25)20(2,3)4/h7-10,14-15,17H,11H2,1-6H3/t14-,15-,17+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285106
((2S,5R,6S)-6-Methanesulfonyloxy-3,3-dimethyl-4,4,7...)Show SMILES CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@@H]([C@@H](OS(C)(=O)=O)C2=O)S(=O)(=O)C1(C)C Show InChI InChI=1S/C15H23NO10S2/c1-14(2,3)13(19)25-7-24-12(18)9-15(4,5)28(22,23)11-8(10(17)16(9)11)26-27(6,20)21/h8-9,11H,7H2,1-6H3/t8-,9-,11+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285112
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-trifluorome...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OS(=O)(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H16F3NO8S2/c1-15(2)11(14(22)27-8-9-6-4-3-5-7-9)20-12(21)10(13(20)29(15,23)24)28-30(25,26)16(17,18)19/h3-7,10-11,13H,8H2,1-2H3/t10-,11-,13+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50281090
((3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one...)Show InChI InChI=1S/C12H13NO3/c1-8(14)13-10(11(16-2)12(13)15)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-,11+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE) |
Bioorg Med Chem Lett 3: 2547-2552 (1993)
Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50070444
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1 Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1 | PDB
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Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE) |
Bioorg Med Chem Lett 8: 1437-42 (1999)
BindingDB Entry DOI: 10.7270/Q2J67G20 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50199883
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE) |
Bioorg Med Chem Lett 3: 2547-2552 (1993)
Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50058473
((2R,3aR,7aR)-1-[2-(4-{4-Chloro-3-[2-(3,5-di-tert-b...)Show SMILES CC(C)C(NC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC(=O)CSc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C50H63ClF3N5O11S3/c1-26(2)40(43(62)50(52,53)54)55-46(65)37-21-29-13-11-12-14-36(29)59(37)47(66)41(27(3)4)56-44(63)28-15-18-32(19-16-28)72(67,68)58-45(64)30-17-20-35(51)38(22-30)73(69,70)57-39(60)25-71-31-23-33(48(5,6)7)42(61)34(24-31)49(8,9)10/h15-20,22-24,26-27,29,36-37,40-41,61H,11-14,21,25H2,1-10H3,(H,55,65)(H,56,63)(H,57,60)(H,58,64)/t29-,36-,37-,40?,41?/m1/s1 | PDB
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Institut de Recherche Servier
Curated by ChEMBL
| Assay Description
The concentrarion of the compound required to achieve 50% inhibition against pig pancreatic elastase |
J Med Chem 40: 1906-18 (1997)
Article DOI: 10.1021/jm960772z
BindingDB Entry DOI: 10.7270/Q2MS3RW1 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285109
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-trifluorome...)Show SMILES CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@@H]([C@@H](OS(=O)(=O)C(F)(F)F)C2=O)S(=O)(=O)C1(C)C Show InChI InChI=1S/C15H20F3NO10S2/c1-13(2,3)12(22)28-6-27-11(21)8-14(4,5)30(23,24)10-7(9(20)19(8)10)29-31(25,26)15(16,17)18/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50281089
((3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-pheny...)Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1 Show InChI InChI=1S/C15H17NO3/c1-10(9-12-7-5-4-6-8-12)13-14(19-3)15(18)16(13)11(2)17/h4-9,13-14H,1-3H3/b10-9+/t13-,14+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE) |
Bioorg Med Chem Lett 3: 2547-2552 (1993)
Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075108
(2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075117
(2-phenylcarboxamidopropanoic anhydride | CHEMBL134...)Show SMILES O=C(CCNC(=O)c1ccccc1)OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C20H20N2O5/c23-17(11-13-21-19(25)15-7-3-1-4-8-15)27-18(24)12-14-22-20(26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,25)(H,22,26) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50015876
(7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...)Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1 | PDB
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Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE) |
J Med Chem 33: 2513-21 (1990)
BindingDB Entry DOI: 10.7270/Q2Q81C2Q |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075116
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-(2-met...)Show SMILES Cc1ccccc1C(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1C Show InChI InChI=1S/C40H38N4O5/c1-25-11-7-9-13-31(25)33(43-35(45)29-19-15-27(23-41)16-20-29)39(3,4)37(47)49-38(48)40(5,6)34(32-14-10-8-12-26(32)2)44-36(46)30-21-17-28(24-42)18-22-30/h7-22,33-34H,1-6H3,(H,43,45)(H,44,46) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285107
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C21H27NO10S2/c1-12-7-9-13(10-8-12)34(28,29)32-14-16(23)22-15(21(5,6)33(26,27)17(14)22)18(24)30-11-31-19(25)20(2,3)4/h7-10,14-15,17H,11H2,1-6H3/t14-,15-,17+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50285111
((2S,5R,6S)-6-Methanesulfonyloxy-3,3-dimethyl-4,4,7...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OS(C)(=O)=O)C2=O)S1(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H19NO8S2/c1-16(2)12(15(19)24-9-10-7-5-4-6-8-10)17-13(18)11(25-26(3,20)21)14(17)27(16,22)23/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m0/s1 | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine Pancreatic elastase without preincubation |
Bioorg Med Chem Lett 5: 2033-2036 (1995)
Article DOI: 10.1016/0960-894X(95)00347-V
BindingDB Entry DOI: 10.7270/Q21Z44D4 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50071965
((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C=O Show InChI InChI=1S/C31H50N6O11/c1-7-10-19(15-38)33-29(46)22-11-9-12-37(22)31(48)25(16(3)4)35-30(47)26(17(5)8-2)36-28(45)21(14-24(42)43)34-27(44)20(13-23(40)41)32-18(6)39/h15-17,19-22,25-26H,7-14H2,1-6H3,(H,32,39)(H,33,46)(H,34,44)(H,35,47)(H,36,45)(H,40,41)(H,42,43)/t17-,19-,20-,21+,22-,25-,26-/m0/s1 | PDB
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Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 8: 2719-24 (1999)
BindingDB Entry DOI: 10.7270/Q2V69HRX |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50429202
(LYNGBYASTATIN 7)Show SMILES CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of pig pancreatic elastase |
J Nat Prod 71: 1625-9 (2008)
Article DOI: 10.1021/np8002172
BindingDB Entry DOI: 10.7270/Q29W0J8K |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 1/2A
(Sus scrofa (Pig)) | BDBM50479189
(CHEBI:66142 | KEMPOPEPTIN A)Show SMILES [H][C@]1(CCCN1C(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@]([H])(NC(=O)[C@H](CC(C)C)NC1=O)C2=O)C(C)C |r| Show InChI InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of pig pancreatic elastase |
J Nat Prod 71: 1625-9 (2008)
Article DOI: 10.1021/np8002172
BindingDB Entry DOI: 10.7270/Q29W0J8K |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075113
(1,1-dimethyl-2-phenylcarboxamidopropanoic anhydrid...)Show SMILES CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1 Show InChI InChI=1S/C24H28N2O5/c1-23(2,15-25-19(27)17-11-7-5-8-12-17)21(29)31-22(30)24(3,4)16-26-20(28)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,25,27)(H,26,28) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50073132
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...)Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1 | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase |
J Med Chem 42: 312-23 (1999)
Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075107
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50075107
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38) | PDB
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Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT) |
Bioorg Med Chem Lett 9: 413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BGC |
More data for this
Ligand-Target Pair | |
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