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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50008593   
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
Cathepsin G


(Homo sapiens (Human))
BDBM50073139
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)
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n/an/a 1.40n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50073139
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)
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n/an/a 2.10n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 5n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 5.30n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 5.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 5.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 6.40n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 12n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 12n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 13n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075110
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)
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n/an/a 15n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075110
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)
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n/an/a 15n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic trypsin (TRP)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 18n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic trypsin (TRP)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 18n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 20n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 20n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 21n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 21n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 31n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075104
PNG
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40)
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n/an/a 32n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 34n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50073139
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)
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n/an/a 36n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075105
PNG
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)
Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32)
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n/an/a 37n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075104
PNG
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40)
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n/an/a 44n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 48n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075118
PNG
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)
Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34)
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n/an/a 49n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075112
PNG
(1,1-dimethyl-2-propylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)CCC
Show InChI InChI=1S/C28H52N2O5/c1-9-13-15-19-21(29-23(31)17-11-3)27(5,6)25(33)35-26(34)28(7,8)22(20-16-14-10-2)30-24(32)18-12-4/h21-22H,9-20H2,1-8H3,(H,29,31)(H,30,32)
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n/an/a 55n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075118
PNG
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)
Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34)
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n/an/a 58n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075118
PNG
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)
Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34)
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n/an/a 58n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 61n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 64n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 64n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 64n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 64n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075111
PNG
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47|
Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 69n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075105
PNG
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)
Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32)
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n/an/a 72n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075118
PNG
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)
Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34)
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n/an/a 75n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075104
PNG
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40)
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n/an/a 80n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50075111
PNG
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47|
Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 130n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075108
PNG
(2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)
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n/an/a 140n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075113
PNG
(1,1-dimethyl-2-phenylcarboxamidopropanoic anhydrid...)
Show SMILES CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c1-23(2,15-25-19(27)17-11-7-5-8-12-17)21(29)31-22(30)24(3,4)16-26-20(28)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,25,27)(H,26,28)
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n/an/a 140n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075105
PNG
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)
Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32)
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n/an/a 160n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075113
PNG
(1,1-dimethyl-2-phenylcarboxamidopropanoic anhydrid...)
Show SMILES CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c1-23(2,15-25-19(27)17-11-7-5-8-12-17)21(29)31-22(30)24(3,4)16-26-20(28)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,25,27)(H,26,28)
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n/an/a 170n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075104
PNG
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40)
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n/an/a 180n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075111
PNG
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47|
Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 180n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50075116
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-(2-met...)
Show SMILES Cc1ccccc1C(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1C
Show InChI InChI=1S/C40H38N4O5/c1-25-11-7-9-13-31(25)33(43-35(45)29-19-15-27(23-41)16-20-29)39(3,4)37(47)49-38(48)40(5,6)34(32-14-10-8-12-26(32)2)44-36(46)30-21-17-28(24-42)18-22-30/h7-22,33-34H,1-6H3,(H,43,45)(H,44,46)
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n/an/a 190n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G (h-CG)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075116
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-(2-met...)
Show SMILES Cc1ccccc1C(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1C
Show InChI InChI=1S/C40H38N4O5/c1-25-11-7-9-13-31(25)33(43-35(45)29-19-15-27(23-41)16-20-29)39(3,4)37(47)49-38(48)40(5,6)34(32-14-10-8-12-26(32)2)44-36(46)30-21-17-28(24-42)18-22-30/h7-22,33-34H,1-6H3,(H,43,45)(H,44,46)
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n/an/a 190n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human chymase (h-chymase)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075105
PNG
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)
Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32)
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n/an/a 210n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50075110
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)
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n/an/a 210n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50075111
PNG
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47|
Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 220n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


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


BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
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