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PubMed code 12565935

Compile data set for download or QSAR
Found 5 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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50123067
PNG
((S)-1-Benzyl-3-isobutyl-4-(toluene-4-sulfonyl)-pip...)
Show SMILES CC(C)C[C@@H]1N(CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H28N2O3S/c1-17(2)15-21-22(25)23(16-19-7-5-4-6-8-19)13-14-24(21)28(26,27)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3/t21-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences and The Dyson Perrins Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human neutrophil elastase (HNE)


Bioorg Med Chem Lett 13: 387-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V7S
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50123067
PNG
((S)-1-Benzyl-3-isobutyl-4-(toluene-4-sulfonyl)-pip...)
Show SMILES CC(C)C[C@@H]1N(CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H28N2O3S/c1-17(2)15-21-22(25)23(16-19-7-5-4-6-8-19)13-14-24(21)28(26,27)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3/t21-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences and The Dyson Perrins Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 13: 387-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V7S
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50123068
PNG
((S)-2-sec-Butyl-3-oxo-4-(toluene-4-sulfonyl)-piper...)
Show SMILES CCC(C)[C@@H]1N(CCN(C1=O)S(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H30N2O5S/c1-7-15(3)17-18(23)22(13-12-21(17)19(24)27-20(4,5)6)28(25,26)16-10-8-14(2)9-11-16/h8-11,15,17H,7,12-13H2,1-6H3/t15?,17-/m0/s1
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n/an/a 2.93E+5n/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences and The Dyson Perrins Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 13: 387-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V7S
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50123066
PNG
((S)-2-Isobutyl-4-methanesulfonyl-3-oxo-piperazine-...)
Show SMILES CC(C)C[C@@H]1N(CCN(C1=O)S(C)(=O)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C14H26N2O5S/c1-10(2)9-11-12(17)16(22(6,19)20)8-7-15(11)13(18)21-14(3,4)5/h10-11H,7-9H2,1-6H3/t11-/m0/s1
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n/an/a 9.23E+5n/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences and The Dyson Perrins Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 13: 387-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V7S
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50123065
PNG
((S)-1-Benzyl-3-isobutyl-4-methanesulfonyl-piperazi...)
Show SMILES CC(C)C[C@@H]1N(CCN(Cc2ccccc2)C1=O)S(C)(=O)=O
Show InChI InChI=1S/C16H24N2O3S/c1-13(2)11-15-16(19)17(9-10-18(15)22(3,20)21)12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m0/s1
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n/an/a 2.00E+6n/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences and The Dyson Perrins Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 13: 387-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V7S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%