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Compile Data Set for Download or QSAR

Found 242 hits Enz. Inhib. hit(s) with Target = 'Pancreatic elastase'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Pancreatic elastase


(Sus scrofa)
BDBM50073123
PNG
((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
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n/an/a 0.700n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073123
PNG
((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
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n/an/a 8.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073123
PNG
((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
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n/an/a 14n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase


Citation and Details
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50312532
PNG
(CHEMBL1077010 | molassamide)
Show SMILES CCCC(=O)N[C@@H](C)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(NC1=O)=C\C)C2=O)C(C)C
Show InChI InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Smithsonian Marine Station at Ft. Pierce

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic elastase preincubated for 15 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075109
PNG
(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)
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n/an/a 34n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073139
PNG
(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)
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n/an/a 36n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075112
PNG
(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)
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n/an/a 55n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075118
PNG
(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)
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n/an/a 58n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071966
PNG
((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
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071968
PNG
((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
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071973
PNG
((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
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075114
PNG
(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)
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n/an/a 61n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075106
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075106
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061511
PNG
((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
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061512
PNG
((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
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285111
PNG
((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
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50281044
PNG
((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
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075104
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075111
PNG
(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
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)
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n/an/a 180n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071983
PNG
((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
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061528
PNG
((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
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073127
PNG
((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
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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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061509
PNG
((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
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n/an/a 200n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075105
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075110
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073126
PNG
((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
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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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061497
PNG
((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
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285107
PNG
((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
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n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285106
PNG
((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
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase with 10 min preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285112
PNG
((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
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase without preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50281090
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)c1ccccc1
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
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070444
PNG
((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
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n/an/a 730n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285109
PNG
((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
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase without preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50058473
PNG
((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
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
The concentrarion of the compound required to achieve 50% inhibition against pig pancreatic elastase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075108
PNG
(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)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50281089
PNG
((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
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075117
PNG
(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)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285107
PNG
((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
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase without preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075116
PNG
(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)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071965
PNG
((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
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n/an/a 2.20E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285111
PNG
((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
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase without preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075113
PNG
(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)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073132
PNG
((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
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075107
PNG
(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)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50075107
PNG
(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)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50073125
PNG
((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
Show InChI InChI=1S/C29H37N3O4/c1-5-6-7-11-14-25(32-26(33)23-17-15-22(20-30)16-18-23)29(2,3)28(35)31-24(27(34)36-4)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24-25H,5-7,11,14,19H2,1-4H3,(H,31,35)(H,32,33)/t24-,25?/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50285106
PNG
((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
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine Pancreatic elastase without preincubation


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-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)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


Citation and Details
More data for this
Ligand-Target Pair
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