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PubMed code 22595175

Compile data set for download or QSAR
Found 18 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
Myeloblastin


(Homo sapiens (Human))
BDBM50384111
PNG
(CHEMBL2029556)
Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50384108
PNG
(CHEMBL2029554)
Show SMILES CC1(C)OC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C12H13NO3/c1-12(2)10(14)13(11(15)16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384112
PNG
(CHEMBL2029557)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))
BDBM50384104
PNG
(CHEMBL2029559)
Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1
Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384111
PNG
(CHEMBL2029556)
Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))
BDBM50384108
PNG
(CHEMBL2029554)
Show SMILES CC1(C)OC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C12H13NO3/c1-12(2)10(14)13(11(15)16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50384111
PNG
(CHEMBL2029556)
Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))
BDBM50384112
PNG
(CHEMBL2029557)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384104
PNG
(CHEMBL2029559)
Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1
Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384108
PNG
(CHEMBL2029554)
Show SMILES CC1(C)OC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C12H13NO3/c1-12(2)10(14)13(11(15)16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50384104
PNG
(CHEMBL2029559)
Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(oc1=O)-c1ccccc1
Show InChI InChI=1S/C17H13NO5/c1-22-13-9-7-12(8-10-13)15(19)18-16(20)14(23-17(18)21)11-5-3-2-4-6-11/h2-10,20H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50384112
PNG
(CHEMBL2029557)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3
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n/an/a 3.69E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384110
PNG
(CHEMBL2029555)
Show SMILES CC1(C)OC(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H10N2O5/c1-11(2)9(14)12(10(15)18-11)7-3-5-8(6-4-7)13(16)17/h3-6H,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384113
PNG
(CHEMBL2029558)
Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(C)oc1=O
Show InChI InChI=1S/C12H11NO5/c1-7-10(14)13(12(16)18-7)11(15)8-3-5-9(17-2)6-4-8/h3-6,14H,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384107
PNG
(CHEMBL2029553)
Show SMILES CC1OC(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N2O5/c1-6-9(13)11(10(14)17-6)7-2-4-8(5-3-7)12(15)16/h2-6H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384109
PNG
(CHEMBL2029350)
Show SMILES COc1ccc(cc1)N1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C12H13NO4/c1-12(2)10(14)13(11(15)17-12)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384106
PNG
(CHEMBL2029552)
Show SMILES COc1ccc(cc1)N1C(=O)OC(C)C1=O
Show InChI InChI=1S/C11H11NO4/c1-7-10(13)12(11(14)16-7)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50384105
PNG
(CHEMBL2029551)
Show SMILES Cc1oc(=O)n(Cc2ccccc2)c1O
Show InChI InChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%