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Compile Data Set for Download or QSAR

Found 39 hits of ic50 for UniProtKB: P00772   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
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


J Nat Prod 73: 459-62 (2010)


Article DOI: 10.1021/np900603f
BindingDB Entry DOI: 10.7270/Q2GH9J4Z
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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n/an/a<60n/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
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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n/an/a<60n/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
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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n/an/a 190n/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase after 10 to 15 mins by fluorescence assay


J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237204
PNG
(Esculin laurate)
Show SMILES CCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C27H38O10/c1-2-3-4-5-6-7-8-9-10-11-22(29)34-16-21-24(31)25(32)26(33)27(37-21)36-20-14-17-12-13-23(30)35-19(17)15-18(20)28/h12-15,21,24-28,31-33H,2-11,16H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237205
PNG
(Esculin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C29H42O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(31)36-18-23-26(33)27(34)28(35)29(39-23)38-22-16-19-14-15-25(32)37-21(19)17-20(22)30/h14-17,23,26-30,33-35H,2-13,18H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237206
PNG
(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 5.00E+4n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237198
PNG
(Phloridzin)
Show SMILES OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237203
PNG
(Esculin)
Show SMILES OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237184
PNG
(Rutin)
Show SMILES CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071967
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)NCc1ccccc1
Show InChI InChI=1S/C38H57N7O11/c1-7-13-25(33(51)39-20-24-14-10-9-11-15-24)41-36(54)28-16-12-17-45(28)38(56)31(21(3)4)43-37(55)32(22(5)8-2)44-35(53)27(19-30(49)50)42-34(52)26(18-29(47)48)40-23(6)46/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,51)(H,40,46)(H,41,54)(H,42,52)(H,43,55)(H,44,53)(H,47,48)(H,49,50)/t22-,25+,26-,27+,28-,31-,32-/m0/s1
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n/an/a 2.06E+5n/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237208
PNG
(4-Guanidinobenzoate)
Show SMILES NC(N)=Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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n/an/a 5.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237202
PNG
(Phloridzin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C39H58O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(44)48-26-33-36(45)37(46)38(47)39(50-33)49-32-25-29(41)24-31(43)35(32)30(42)23-20-27-18-21-28(40)22-19-27/h18-19,21-22,24-25,33,36-41,43,45-47H,2-17,20,23,26H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237201
PNG
(Phloridzin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C37H54O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32(42)46-24-31-34(43)35(44)36(45)37(48-31)47-30-23-27(39)22-29(41)33(30)28(40)21-18-25-16-19-26(38)20-17-25/h16-17,19-20,22-23,31,34-39,41,43-45H,2-15,18,21,24H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237200
PNG
(Phloridzin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C35H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-30(40)44-22-29-32(41)33(42)34(43)35(46-29)45-28-21-25(37)20-27(39)31(28)26(38)19-16-23-14-17-24(36)18-15-23/h14-15,17-18,20-21,29,32-37,39,41-43H,2-13,16,19,22H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237199
PNG
(Phloridzin laurate)
Show SMILES CCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C33H46O11/c1-2-3-4-5-6-7-8-9-10-11-28(38)42-20-27-30(39)31(40)32(41)33(44-27)43-26-19-23(35)18-25(37)29(26)24(36)17-14-21-12-15-22(34)16-13-21/h12-13,15-16,18-19,27,30-35,37,39-41H,2-11,14,17,20H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237197
PNG
(Rutin erucate)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C47H66O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(52)63-43-27(2)60-46(42(58)40(43)56)59-26-34-37(53)39(55)41(57)47(62-34)64-45-38(54)36-32(51)24-29(48)25-33(36)61-44(45)28-21-22-30(49)31(50)23-28/h10-11,21-25,27,34,37,39-43,46-51,53,55-58H,3-9,12-20,26H2,1-2H3/b11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237195
PNG
(Rutin linolenate)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h4-5,7-8,10-11,19-23,25,32,35,37-41,44-49,51,53-56H,3,6,9,12-18,24H2,1-2H3/b5-4-,8-7-,11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237194
PNG
(Rutin linoleate)
Show SMILES CCCC\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C44H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(49)60-40-24(2)57-43(39(55)37(40)53)56-23-31-34(50)36(52)38(54)44(59-31)61-42-35(51)33-29(48)21-26(45)22-30(33)58-41(42)25-18-19-27(46)28(47)20-25/h6-7,9-10,18-22,24,31,34,36-40,43-48,50,52-55H,3-5,8,11-17,23H2,1-2H3/b7-6-,10-9-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237193
PNG
(Rutin oleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H62O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h10-11,19-23,25,32,35,37-41,44-49,51,53-56H,3-9,12-18,24H2,1-2H3/b11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237192
PNG
(Rutin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H64O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h19-23,25,32,35,37-41,44-49,51,53-56H,3-18,24H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237191
PNG
(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237190
PNG
(Rutin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C41H56O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(46)57-37-21(2)54-40(36(52)34(37)50)53-20-28-31(47)33(49)35(51)41(56-28)58-39-32(48)30-26(45)18-23(42)19-27(30)55-38(39)22-15-16-24(43)25(44)17-22/h15-19,21,28,31,33-37,40-45,47,49-52H,3-14,20H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237189
PNG
(Rutin laurate)
Show SMILES CCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C39H52O17/c1-3-4-5-6-7-8-9-10-11-12-27(44)55-35-19(2)52-38(34(50)32(35)48)51-18-26-29(45)31(47)33(49)39(54-26)56-37-30(46)28-24(43)16-21(40)17-25(28)53-36(37)20-13-14-22(41)23(42)15-20/h13-17,19,26,29,31-35,38-43,45,47-50H,3-12,18H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237186
PNG
(Rutin caproate | Rutin capronate)
Show SMILES CCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C33H40O17/c1-3-4-5-6-21(38)49-29-13(2)46-32(28(44)26(29)42)45-12-20-23(39)25(41)27(43)33(48-20)50-31-24(40)22-18(37)10-15(34)11-19(22)47-30(31)14-7-8-16(35)17(36)9-14/h7-11,13,20,23,25-29,32-37,39,41-44H,3-6,12H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237187
PNG
(Rutin caprylate)
Show SMILES CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C35H44O17/c1-3-4-5-6-7-8-23(40)51-31-15(2)48-34(30(46)28(31)44)47-14-22-25(41)27(43)29(45)35(50-22)52-33-26(42)24-20(39)12-17(36)13-21(24)49-32(33)16-9-10-18(37)19(38)11-16/h9-13,15,22,25,27-31,34-39,41,43-46H,3-8,14H2,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237186
PNG
(Rutin caproate | Rutin capronate)
Show SMILES CCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C33H40O17/c1-3-4-5-6-21(38)49-29-13(2)46-32(28(44)26(29)42)45-12-20-23(39)25(41)27(43)33(48-20)50-31-24(40)22-18(37)10-15(34)11-19(22)47-30(31)14-7-8-16(35)17(36)9-14/h7-11,13,20,23,25-29,32-37,39,41-44H,3-6,12H2,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM237185
PNG
(Rutin butyrate)
Show SMILES CCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C31H36O17/c1-3-4-19(36)47-27-11(2)44-30(26(42)24(27)40)43-10-18-21(37)23(39)25(41)31(46-18)48-29-22(38)20-16(35)8-13(32)9-17(20)45-28(29)12-5-6-14(33)15(34)7-12/h5-9,11,18,21,23-27,30-35,37,39-42H,3-4,10H2,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50284214
PNG
(Acetic acid 2,4-dioxo-9-phenethyl-1,2,4,9-tetrahyd...)
Show SMILES CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3
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n/an/a 8.33E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071975
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)=O
Show InChI InChI=1S/C31H50N6O12/c1-7-10-18(31(48)49)33-28(45)21-11-9-12-37(21)30(47)24(15(3)4)35-29(46)25(16(5)8-2)36-27(44)20(14-23(41)42)34-26(43)19(13-22(39)40)32-17(6)38/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,32,38)(H,33,45)(H,34,43)(H,35,46)(H,36,44)(H,39,40)(H,41,42)(H,48,49)/t16-,18-,19-,20+,21-,24-,25-/m0/s1
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n/an/a>1.00E+6n/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50284202
PNG
(Acetic acid 2,4-dioxo-9-(3-phenyl-propyl)-1,2,4,9-...)
Show SMILES CC(=O)Oc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C21H18N2O5/c1-13(24)27-15-9-10-17-16(12-15)18-19(22-21(26)28-20(18)25)23(17)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,25H,5,8,11H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50284206
PNG
(Acetic acid 9-butyl-2,4-dioxo-1,2,4,9-tetrahydro-[...)
Show SMILES CCCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C16H16N2O5/c1-3-4-7-18-12-6-5-10(22-9(2)19)8-11(12)13-14(18)17-16(21)23-15(13)20/h5-6,8,20H,3-4,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50071970
PNG
((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...)
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)OCc1ccccc1
Show InChI InChI=1S/C38H56N6O12/c1-7-13-25(38(55)56-20-24-14-10-9-11-15-24)40-35(52)28-16-12-17-44(28)37(54)31(21(3)4)42-36(53)32(22(5)8-2)43-34(51)27(19-30(48)49)41-33(50)26(18-29(46)47)39-23(6)45/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,45)(H,40,52)(H,41,50)(H,42,53)(H,43,51)(H,46,47)(H,48,49)/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)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
More data for this
Ligand-Target Pair