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PubMed code 9341917

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060371
PNG
(3-Acetoxymethyl-7-[1-bromo-1-methoxycarbonyl-meth-...)
Show SMILES COC(=O)C(\Br)=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22BrNO7S/c1-15(29)34-13-18-14-36-24-19(20(27)25(31)33-2)23(30)28(24)21(18)26(32)35-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,22,24H,13-14H2,1-2H3/b20-19+
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n/an/a 2.10E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060355
PNG
(3-Acetoxymethyl-7-dibromomethylene-8-oxo-5-thia-1-...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C(Br)Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Br2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 2.60E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060370
PNG
((S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C24H23NO8S/c1-15(26)32-13-18-14-34(29,30)23-21(31-2)22(27)25(23)19(18)24(28)33-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,23H,13-14H2,1-2H3/t21-,23?/m0/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060337
PNG
(3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-8-oxo...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20BrNO5S/c1-15(27)30-13-18-14-32-23-19(12-25)22(28)26(23)20(18)24(29)31-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+
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n/an/a 3.90E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060352
PNG
(3-Acetoxymethyl-7-[1-cyano-meth-(Z)-ylidene]-5,5,8...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/C#N)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O7S/c1-16(28)33-14-19-15-35(31,32)24-20(12-13-26)23(29)27(24)21(19)25(30)34-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24H,14-15H2,1H3/b20-12-
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n/an/a 4.90E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50454654
PNG
(CHEMBL2311166)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)CCl
Show InChI InChI=1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15-,19-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060363
PNG
(3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3
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n/an/a 6.70E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060358
PNG
((S)-3-Acetoxymethyl-7-iodo-8-oxo-5-thia-1-aza-bicy...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](I)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20INO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1
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n/an/a 1.18E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060364
PNG
(3-Acetoxymethyl-7,7-dibromo-8-oxo-5-thia-1-aza-bic...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(Br)(Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19Br2NO5S/c1-14(27)30-12-17-13-32-22-23(24,25)21(29)26(22)18(17)20(28)31-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19,22H,12-13H2,1H3
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n/an/a 1.39E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060369
PNG
(3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C(Br)Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 2.07E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060333
PNG
(3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-5,5,8...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C\Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20BrNO7S/c1-15(27)32-13-18-14-34(30,31)23-19(12-25)22(28)26(23)20(18)24(29)33-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+
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n/an/a 2.49E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060340
PNG
(3-Acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C(Cl)Cl)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 2.56E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060347
PNG
(3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...)
Show SMILES COC(=O)\C=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO7S/c1-16(28)33-14-19-15-35-25-20(13-21(29)32-2)24(30)27(25)22(19)26(31)34-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-
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n/an/a 2.60E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060335
PNG
((S)-3-Acetoxymethyl-7-chloro-8-oxo-5-thia-1-aza-bi...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20ClNO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060333
PNG
(3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-5,5,8...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C\Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20BrNO7S/c1-15(27)32-13-18-14-34(30,31)23-19(12-25)22(28)26(23)20(18)24(29)33-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+
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n/an/a 3.36E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060336
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-vinylidene-5lambda*...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C=C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO7S/c1-3-20-23(28)26-21(19(14-32-16(2)27)15-34(30,31)24(20)26)25(29)33-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3
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n/an/a 4.10E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060342
PNG
(3-Acetoxymethyl-8-oxo-7-[2-oxo-prop-(Z)-ylidene]-5...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=CC(C)=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO6S/c1-16(28)13-21-24(30)27-22(20(14-32-17(2)29)15-34-25(21)27)26(31)33-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3
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n/an/a 4.27E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060369
PNG
(3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C(Br)Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 4.80E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060351
PNG
(3-Acetoxymethyl-8-oxo-7-[2-oxo-eth-(Z)-ylidene]-5-...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,22,24H,14-15H2,1H3/b20-12-
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n/an/a 5.20E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060368
PNG
((S)-3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-b...)
Show SMILES CO[C@@H]1C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23NO6S/c1-15(26)30-13-18-14-32-23-21(29-2)22(27)25(23)19(18)24(28)31-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,23H,13-14H2,1-2H3/t21-,23?/m0/s1
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n/an/a 5.35E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060353
PNG
(3-Acetoxymethyl-7-bromovinylidene-8-oxo-5-thia-1-a...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CBr)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20BrNO5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,22,24H,14-15H2,1H3
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n/an/a 5.40E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060348
PNG
(3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-8...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CC(C)(C)C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO5S/c1-19(31)34-17-22-18-36-27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)35-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3
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n/an/a 5.50E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060358
PNG
((S)-3-Acetoxymethyl-7-iodo-8-oxo-5-thia-1-aza-bicy...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](I)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20INO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1
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n/an/a 5.60E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060335
PNG
((S)-3-Acetoxymethyl-7-chloro-8-oxo-5-thia-1-aza-bi...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20ClNO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1
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n/an/a 6.00E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060359
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[2-oxo-prop-(Z)-yli...)
Show SMILES CC(=O)OCC1=C(N2C(C(=CC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO8S/c1-16(28)13-21-24(30)27-22(20(14-34-17(2)29)15-36(32,33)25(21)27)26(31)35-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3
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n/an/a 6.00E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060366
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(E)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17+
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n/an/a 6.00E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060336
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-vinylidene-5lambda*...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C=C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO7S/c1-3-20-23(28)26-21(19(14-32-16(2)27)15-34(30,31)24(20)26)25(29)33-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3
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n/an/a 6.10E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060343
PNG
(3-Acetoxymethyl-7-dichloromethylene-8-oxo-5-thia-1...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C(Cl)Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 6.41E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060355
PNG
(3-Acetoxymethyl-7-dibromomethylene-8-oxo-5-thia-1-...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C(Br)Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Br2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a 6.42E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060341
PNG
(3-Acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO9S/c1-18(31)37-16-21-17-40(35,36)27-22(15-23(32)39-29(2,3)4)26(33)30(27)24(21)28(34)38-25(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,25,27H,16-17H2,1-4H3/b22-15-
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n/an/a 7.10E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060338
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(Z)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-
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n/an/a 8.90E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060346
PNG
(3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...)
Show SMILES COC(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C26H23NO9S/c1-16(28)35-14-19-15-37(32,33)25-20(13-21(29)34-2)24(30)27(25)22(19)26(31)36-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-
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n/an/a 8.90E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060363
PNG
(3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3
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n/an/a 9.00E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060337
PNG
(3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-8-oxo...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20BrNO5S/c1-15(27)30-13-18-14-32-23-19(12-25)22(28)26(23)20(18)24(29)31-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+
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n/an/a 9.60E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060344
PNG
((R)-3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bic...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@H](N)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H22N2O5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13,24H2,1H3/t18-,22?/m1/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060339
PNG
(3-Acetoxymethyl-7,8-dioxo-5-thia-1-aza-bicyclo[4.2...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19NO6S/c1-14(25)29-12-17-13-31-22-19(26)21(27)24(22)18(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,22H,12-13H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060345
PNG
(3-Acetoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]o...)
Show SMILES CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO5S/c1-15(25)28-13-18-14-30-20-12-19(26)24(20)21(18)23(27)29-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,20,22H,12-14H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060362
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-pyridin-2-yl-met...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N2O7S/c1-19(32)37-17-22-18-39(35,36)28-24(16-23-14-8-9-15-30-23)27(33)31(28)25(22)29(34)38-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-16,26,28H,17-18H2,1H3/b24-16-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060357
PNG
(3-Acetoxymethyl-8-oxo-7-[1-phenyl-meth-(Z)-ylidene...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO5S/c1-20(32)35-18-24-19-37-29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)36-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060354
PNG
(3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-ox...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24,27H,13-15H2,1H3/b20-12-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060341
PNG
(3-Acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO9S/c1-18(31)37-16-21-17-40(35,36)27-22(15-23(32)39-29(2,3)4)26(33)30(27)24(21)28(34)38-25(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,25,27H,16-17H2,1-4H3/b22-15-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060346
PNG
(3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...)
Show SMILES COC(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C26H23NO9S/c1-16(28)35-14-19-15-37(32,33)25-20(13-21(29)34-2)24(30)27(25)22(19)26(31)36-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060348
PNG
(3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-8...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CC(C)(C)C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO5S/c1-19(31)34-17-22-18-36-27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)35-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060361
PNG
(3-Acetoxymethyl-8-oxo-7-[1-phenyl-meth-(E)-ylidene...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\c1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO5S/c1-20(32)35-18-24-19-37-29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)36-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17+
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060366
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(E)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17+
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060345
PNG
(3-Acetoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]o...)
Show SMILES CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO5S/c1-15(25)28-13-18-14-30-20-12-19(26)24(20)21(18)23(27)29-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,20,22H,12-14H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060353
PNG
(3-Acetoxymethyl-7-bromovinylidene-8-oxo-5-thia-1-a...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CBr)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20BrNO5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,22,24H,14-15H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060360
PNG
(3-Acetoxymethyl-7-[1-(methoxy-methyl-carbamoyl)-me...)
Show SMILES CON(C)C(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C27H26N2O9S/c1-17(30)37-15-20-16-39(34,35)26-21(14-22(31)28(2)36-3)25(32)29(26)23(20)27(33)38-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14,24,26H,15-16H2,1-3H3/b21-14-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060350
PNG
(3-Acetoxymethyl-8-oxo-7-[1-pyridin-2-yl-meth-(Z)-y...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccn1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N2O5S/c1-19(32)35-17-22-18-37-28-24(16-23-14-8-9-15-30-23)27(33)31(28)25(22)29(34)36-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-16,26,28H,17-18H2,1H3/b24-16-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060343
PNG
(3-Acetoxymethyl-7-dichloromethylene-8-oxo-5-thia-1...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C(Cl)Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060347
PNG
(3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...)
Show SMILES COC(=O)\C=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO7S/c1-16(28)33-14-19-15-35-25-20(13-21(29)32-2)24(30)27(25)22(19)26(31)34-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060356
PNG
(3-Acetoxymethyl-7-[1-cyano-meth-(Z)-ylidene]-8-oxo...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C#N)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24H,14-15H2,1H3/b20-12-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060361
PNG
(3-Acetoxymethyl-8-oxo-7-[1-phenyl-meth-(E)-ylidene...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\c1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO5S/c1-20(32)35-18-24-19-37-29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)36-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17+
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060344
PNG
((R)-3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bic...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@H](N)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H22N2O5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13,24H2,1H3/t18-,22?/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060338
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(Z)-...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060334
PNG
(3-Acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO7S/c1-18(31)35-16-21-17-38-27-22(15-23(32)37-29(2,3)4)26(33)30(27)24(21)28(34)36-25(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,25,27H,16-17H2,1-4H3/b22-15-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060350
PNG
(3-Acetoxymethyl-8-oxo-7-[1-pyridin-2-yl-meth-(Z)-y...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccn1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N2O5S/c1-19(32)35-17-22-18-37-28-24(16-23-14-8-9-15-30-23)27(33)31(28)25(22)29(34)36-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-16,26,28H,17-18H2,1H3/b24-16-
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n/an/a>1.00E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060354
PNG
(3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-ox...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24,27H,13-15H2,1H3/b20-12-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060359
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[2-oxo-prop-(Z)-yli...)
Show SMILES CC(=O)OCC1=C(N2C(C(=CC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO8S/c1-16(28)13-21-24(30)27-22(20(14-34-17(2)29)15-36(32,33)25(21)27)26(31)35-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060339
PNG
(3-Acetoxymethyl-7,8-dioxo-5-thia-1-aza-bicyclo[4.2...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19NO6S/c1-14(25)29-12-17-13-31-22-19(26)21(27)24(22)18(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,22H,12-13H2,1H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060340
PNG
(3-Acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C(Cl)Cl)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060360
PNG
(3-Acetoxymethyl-7-[1-(methoxy-methyl-carbamoyl)-me...)
Show SMILES CON(C)C(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C27H26N2O9S/c1-17(30)37-15-20-16-39(34,35)26-21(14-22(31)28(2)36-3)25(32)29(26)23(20)27(33)38-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14,24,26H,15-16H2,1-3H3/b21-14-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060362
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-[1-pyridin-2-yl-met...)
Show SMILES CC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N2O7S/c1-19(32)37-17-22-18-39(35,36)28-24(16-23-14-8-9-15-30-23)27(33)31(28)25(22)29(34)38-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-16,26,28H,17-18H2,1H3/b24-16-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060342
PNG
(3-Acetoxymethyl-8-oxo-7-[2-oxo-prop-(Z)-ylidene]-5...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=CC(C)=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23NO6S/c1-16(28)13-21-24(30)27-22(20(14-32-17(2)29)15-34-25(21)27)26(31)33-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060349
PNG
(3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-5...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO7S/c1-19(31)36-17-22-18-38(34,35)27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)37-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50060357
PNG
(3-Acetoxymethyl-8-oxo-7-[1-phenyl-meth-(Z)-ylidene...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO5S/c1-20(32)35-18-24-19-37-29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)36-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060349
PNG
(3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-5...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO7S/c1-19(31)36-17-22-18-38(34,35)27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)37-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3
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n/an/a 1.05E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060365
PNG
(3-Acetoxymethyl-7-(2-deutero-3,3-dimethyl-but-1-en...)
Show SMILES CC(=O)OCC1=C(N2C(C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29NO7S/c1-19(31)36-17-22-18-38(34,35)27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)37-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3
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n/an/a 1.35E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060351
PNG
(3-Acetoxymethyl-8-oxo-7-[2-oxo-eth-(Z)-ylidene]-5-...)
Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,22,24H,14-15H2,1H3/b20-12-
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n/an/a 1.39E+7n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%