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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50041127   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Elastase


(Sus scrofa (Pig))
BDBM50405198
PNG
(CHEMBL52356)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC
Show InChI InChI=1S/C26H42O5/c1-6-10-14-18-23(28)20(15-11-7-2)24-21(16-12-8-3)25(30-19(5)27)22(17-13-9-4)26(29)31-24/h20H,6-18H2,1-5H3
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8.13E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405207
PNG
(CHEMBL53936)
Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3
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1.51E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405196
PNG
(CHEMBL54748)
Show SMILES CCCCC(C(=O)c1ccccc1)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H34O4/c1-4-7-15-19(22(26)18-13-11-10-12-14-18)24-20(16-8-5-2)23(27)21(17-9-6-3)25(28)29-24/h10-14,19,27H,4-9,15-17H2,1-3H3
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2.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405203
PNG
(CHEMBL54524)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3
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6.92E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405196
PNG
(CHEMBL54748)
Show SMILES CCCCC(C(=O)c1ccccc1)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H34O4/c1-4-7-15-19(22(26)18-13-11-10-12-14-18)24-20(16-8-5-2)23(27)21(17-9-6-3)25(28)29-24/h10-14,19,27H,4-9,15-17H2,1-3H3
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7.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405203
PNG
(CHEMBL54524)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3
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9.33E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405196
PNG
(CHEMBL54748)
Show SMILES CCCCC(C(=O)c1ccccc1)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H34O4/c1-4-7-15-19(22(26)18-13-11-10-12-14-18)24-20(16-8-5-2)23(27)21(17-9-6-3)25(28)29-24/h10-14,19,27H,4-9,15-17H2,1-3H3
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9.55E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405207
PNG
(CHEMBL53936)
Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3
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1.35E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
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1.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405207
PNG
(CHEMBL53936)
Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3
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1.51E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405198
PNG
(CHEMBL52356)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC
Show InChI InChI=1S/C26H42O5/c1-6-10-14-18-23(28)20(15-11-7-2)24-21(16-12-8-3)25(30-19(5)27)22(17-13-9-4)26(29)31-24/h20H,6-18H2,1-5H3
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1.91E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405203
PNG
(CHEMBL54524)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(O)c1CCCC
Show InChI InChI=1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3
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2.24E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405194
PNG
(CHEMBL50396)
Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3
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2.51E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405194
PNG
(CHEMBL50396)
Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3
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2.88E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
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3.16E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
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3.24E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
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3.39E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405199
PNG
(CHEMBL56016)
Show SMILES CCCCc1c(CC(C)O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H28O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h12,19H,5-11H2,1-4H3
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3.47E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
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3.63E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405208
PNG
(CHEMBL54701)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O
Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3
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4.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
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5.01E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
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5.13E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405205
PNG
(CHEMBL416495)
Show SMILES Oc1cc(CC(=O)c2ccccc2)oc(=O)c1
Show InChI InChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2
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5.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
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5.62E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
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6.46E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405194
PNG
(CHEMBL50396)
Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3
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6.61E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405195
PNG
(CHEMBL52697)
Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O
Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3
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6.92E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405199
PNG
(CHEMBL56016)
Show SMILES CCCCc1c(CC(C)O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H28O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h12,19H,5-11H2,1-4H3
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7.08E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405208
PNG
(CHEMBL54701)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O
Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3
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7.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
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9.77E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405199
PNG
(CHEMBL56016)
Show SMILES CCCCc1c(CC(C)O)oc(=O)c(CCCC)c1OC(C)=O
Show InChI InChI=1S/C18H28O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h12,19H,5-11H2,1-4H3
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1.07E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
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1.35E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
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1.82E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
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2.14E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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3.09E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405195
PNG
(CHEMBL52697)
Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O
Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3
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3.24E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
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3.47E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
PDB

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3.89E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
PDB
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4.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405195
PNG
(CHEMBL52697)
Show SMILES Cc1c(CC(=O)c2ccccc2)oc(=O)c(C)c1O
Show InChI InChI=1S/C15H14O4/c1-9-13(19-15(18)10(2)14(9)17)8-12(16)11-6-4-3-5-7-11/h3-7,17H,8H2,1-2H3
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6.03E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
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6.31E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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6.31E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405208
PNG
(CHEMBL54701)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O
Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3
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8.13E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
PDB
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8.13E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405205
PNG
(CHEMBL416495)
Show SMILES Oc1cc(CC(=O)c2ccccc2)oc(=O)c1
Show InChI InChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2
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1.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
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2.19E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair