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Compile Data Set for Download or QSAR

Found 107 hits from Chang Gung University   
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
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101977
PNG
(CHEMBL3398159)
Show SMILES CCCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H22F3NO5/c1-4-13-30-19(28)16-7-5-6-8-17(16)26-18(27)14-9-11-15(12-10-14)31-20(29)21(2,3)22(23,24)25/h5-12H,4,13H2,1-3H3,(H,26,27)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063050
PNG
(CHEMBL3398145)
Show SMILES CCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H25NO5S/c1-5-8-19(23)17-9-6-7-10-18(17)22-28(25,26)16-13-11-15(12-14-16)27-20(24)21(2,3)4/h6-7,9-14,22H,5,8H2,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063051
PNG
(CHEMBL3398144)
Show SMILES CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063052
PNG
(CHEMBL3398143)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101986
PNG
(CHEMBL3398158)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101977
PNG
(CHEMBL3398159)
Show SMILES CCCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H22F3NO5/c1-4-13-30-19(28)16-7-5-6-8-17(16)26-18(27)14-9-11-15(12-10-14)31-20(29)21(2,3)22(23,24)25/h5-12H,4,13H2,1-3H3,(H,26,27)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101978
PNG
(CHEMBL3398160)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3NO6S/c1-18(2,19(20,21)22)17(25)29-12-8-10-13(11-9-12)30(26,27)23-15-7-5-4-6-14(15)16(24)28-3/h4-11,23H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101981
PNG
(CHEMBL3398161)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-19(2,3)18(23)20-13-9-11-14(12-10-13)27(24,25)21-16-8-6-5-7-15(16)17(22)26-4/h5-12,21H,1-4H3,(H,20,23)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101982
PNG
(CHEMBL3398162)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(NS(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)19-25(22)18(2,3)4/h5-12,19-20H,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101988
PNG
(CHEMBL3398153)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N/O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101989
PNG
(CHEMBL3398154)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO5/c1-20(2,3)19(24)26-14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18(23)25-4/h5-12H,1-4H3,(H,21,22)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101983
PNG
(CHEMBL3398155)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23NO5/c1-5-26-19(24)16-8-6-7-9-17(16)22-18(23)14-10-12-15(13-11-14)27-20(25)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101984
PNG
(CHEMBL3398156)
Show SMILES CCCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H25NO5/c1-5-14-27-20(25)17-8-6-7-9-18(17)23-19(24)15-10-12-16(13-11-15)28-21(26)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,24)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101985
PNG
(CHEMBL3398157)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3NO5/c1-19(2,20(21,22)23)18(27)29-13-10-8-12(9-11-13)16(25)24-15-7-5-4-6-14(15)17(26)28-3/h4-11H,1-3H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063053
PNG
(CHEMBL3398164)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCCO
Show InChI InChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063054
PNG
(CHEMBL3398165)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)OCCO
Show InChI InChI=1S/C20H23NO7S/c1-20(2,3)19(24)28-14-8-10-15(11-9-14)29(25,26)21-17-7-5-4-6-16(17)18(23)27-13-12-22/h4-11,21-22H,12-13H2,1-3H3
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101985
PNG
(CHEMBL3398157)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3NO5/c1-19(2,20(21,22)23)18(27)29-13-10-8-12(9-11-13)16(25)24-15-7-5-4-6-14(15)17(26)28-3/h4-11H,1-3H3,(H,24,25)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101986
PNG
(CHEMBL3398158)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063049
PNG
(CHEMBL3398146)
Show SMILES CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H27NO5S/c1-5-6-11-20(24)18-9-7-8-10-19(18)23-29(26,27)17-14-12-16(13-15-17)28-21(25)22(2,3)4/h7-10,12-15,23H,5-6,11H2,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101981
PNG
(CHEMBL3398161)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-19(2,3)18(23)20-13-9-11-14(12-10-13)27(24,25)21-16-8-6-5-7-15(16)17(22)26-4/h5-12,21H,1-4H3,(H,20,23)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101982
PNG
(CHEMBL3398162)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(NS(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)19-25(22)18(2,3)4/h5-12,19-20H,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101982
PNG
(CHEMBL3398162)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(NS(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)19-25(22)18(2,3)4/h5-12,19-20H,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101981
PNG
(CHEMBL3398161)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-19(2,3)18(23)20-13-9-11-14(12-10-13)27(24,25)21-16-8-6-5-7-15(16)17(22)26-4/h5-12,21H,1-4H3,(H,20,23)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101977
PNG
(CHEMBL3398159)
Show SMILES CCCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C22H22F3NO5/c1-4-13-30-19(28)16-7-5-6-8-17(16)26-18(27)14-9-11-15(12-10-14)31-20(29)21(2,3)22(23,24)25/h5-12H,4,13H2,1-3H3,(H,26,27)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101986
PNG
(CHEMBL3398158)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3NO5/c1-4-29-18(27)15-7-5-6-8-16(15)25-17(26)13-9-11-14(12-10-13)30-19(28)20(2,3)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,26)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101985
PNG
(CHEMBL3398157)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3NO5/c1-19(2,20(21,22)23)18(27)29-13-10-8-12(9-11-13)16(25)24-15-7-5-4-6-14(15)17(26)28-3/h4-11H,1-3H3,(H,24,25)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063048
PNG
(CHEMBL3398147)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063046
PNG
(CHEMBL3398149)
Show SMILES CC\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-5-17(21-24)16-8-6-7-9-18(16)22-28(25,26)15-12-10-14(11-13-15)27-19(23)20(2,3)4/h6-13,22,24H,5H2,1-4H3/b21-17-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101980
PNG
(CHEMBL3398150)
Show SMILES CCC\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H26N2O5S/c1-5-8-18(22-25)17-9-6-7-10-19(17)23-29(26,27)16-13-11-15(12-14-16)28-20(24)21(2,3)4/h6-7,9-14,23,25H,5,8H2,1-4H3/b22-18-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM166437
PNG
(US9073833, 5)
Show SMILES CO\N=C(/C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14+
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063052
PNG
(CHEMBL3398143)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063048
PNG
(CHEMBL3398147)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063053
PNG
(CHEMBL3398164)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCCO
Show InChI InChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24)
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n/an/a 13n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50321752
PNG
(5-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...)
Show SMILES COc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C15H10ClNO3/c1-19-12-8-3-2-5-9(12)14-17-11-7-4-6-10(16)13(11)15(18)20-14/h2-8H,1H3
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n/an/a 15.4n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 2 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063051
PNG
(CHEMBL3398144)
Show SMILES CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
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n/an/a 22n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50321750
PNG
(5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br
Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
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n/an/a 24.8n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase after 30 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50063046
PNG
(CHEMBL3398149)
Show SMILES CC\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-5-17(21-24)16-8-6-7-9-18(16)22-28(25,26)15-12-10-14(11-13-15)27-19(23)20(2,3)4/h6-13,22,24H,5H2,1-4H3/b21-17-
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n/an/a 25n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50321749
PNG
(5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin...)
Show SMILES Clc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
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n/an/a 28.7n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 2 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063054
PNG
(CHEMBL3398165)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)OCCO
Show InChI InChI=1S/C20H23NO7S/c1-20(2,3)19(24)28-14-8-10-15(11-9-14)29(25,26)21-17-7-5-4-6-16(17)18(23)27-13-12-22/h4-11,21-22H,12-13H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
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