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BDBM50075107 1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic anhydride::CHEMBL436591

SMILES: CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC

InChI Key: InChIKey=DGAACZPYHKOXDE-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50075107   
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
Pancreatic elastase


(Sus scrofa)
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 3.30E+3n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
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 520n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Trypsin-1


(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 1.80E+3n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
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 2.60E+3n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
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 65n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Trypsin-1


(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 1.20E+3n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
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 530n/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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
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)


Article DOI: 10.1016/s0960-894x(99)00012-8
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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
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)


Article DOI: 10.1016/s0960-894x(99)00012-8
BindingDB Entry DOI: 10.7270/Q2BK1BGC
More data for this
Ligand-Target Pair