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PubMed code 24224573

Compile data set for download or QSAR
Found 31 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
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 10n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444295
PNG
(CHEMBL3093806)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)
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n/an/a 80n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444297
PNG
(CHEMBL3093815)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444296
PNG
(CHEMBL3093814)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)
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n/an/a 180n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444300
PNG
(CHEMBL3093808)
Show SMILES O=C(Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N2O3S2/c29-22-15-20(17-32-26-27-21-13-7-8-14-24(21)33-26)28(19-11-5-2-6-12-19)16-23(22)31-25(30)18-9-3-1-4-10-18/h1-16H,17H2
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n/an/a 280n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444301
PNG
(CHEMBL3093809)
Show SMILES CCC(CC)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H24N2O3S2/c1-3-17(4-2)24(29)30-22-15-27(18-10-6-5-7-11-18)19(14-21(22)28)16-31-25-26-20-12-8-9-13-23(20)32-25/h5-15,17H,3-4,16H2,1-2H3
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Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444312
PNG
(CHEMBL3093821)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nnc(NC(=O)c3ccccc3)s2)cc1=O
Show InChI InChI=1S/C20H19N3O5S2/c1-20(2,3)17(26)28-15-10-27-13(9-14(15)24)11-29-19-23-22-18(30-19)21-16(25)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,21,22,25)
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Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444307
PNG
(CHEMBL3093816)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3o2)cc1=O
Show InChI InChI=1S/C18H17NO5S/c1-18(2,3)16(21)23-15-9-22-11(8-13(15)20)10-25-17-19-12-6-4-5-7-14(12)24-17/h4-9H,10H2,1-3H3
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n/an/a 670n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444302
PNG
(CHEMBL3093810)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3S2/c1-24(2,3)22(28)29-20-14-26(16-9-5-4-6-10-16)17(13-19(20)27)15-30-23-25-18-11-7-8-12-21(18)31-23/h4-14H,15H2,1-3H3
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n/an/a 960n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444306
PNG
(CHEMBL3091487)
Show SMILES CCC(CC)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C19H19NO4S2/c1-3-12(4-2)18(22)24-16-10-23-13(9-15(16)21)11-25-19-20-14-7-5-6-8-17(14)26-19/h5-10,12H,3-4,11H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444305
PNG
(CHEMBL3093812)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3ccccc3o2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O4S/c1-24(2,3)22(28)29-21-14-26(16-9-5-4-6-10-16)17(13-19(21)27)15-31-23-25-18-11-7-8-12-20(18)30-23/h4-14H,15H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(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>2.00E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444299
PNG
(CHEMBL3093807)
Show SMILES COc1ccccc1C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C27H20N2O4S2/c1-32-23-13-7-5-11-20(23)26(31)33-24-16-29(18-9-3-2-4-10-18)19(15-22(24)30)17-34-27-28-21-12-6-8-14-25(21)35-27/h2-16H,17H2,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444311
PNG
(CHEMBL3093820)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O
Show InChI InChI=1S/C19H18N2O4S2/c1-19(2,3)17(23)25-15-10-24-13(9-14(15)22)11-26-18-21-20-16(27-18)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444304
PNG
(CHEMBL3093813)
Show SMILES CCC(CC)C(=O)Oc1cn(c(CSc2nc3ccccc3o2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H24N2O4S/c1-3-17(4-2)24(29)30-23-15-27(18-10-6-5-7-11-18)19(14-21(23)28)16-32-25-26-20-12-8-9-13-22(20)31-25/h5-15,17H,3-4,16H2,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444303
PNG
(CHEMBL3093811)
Show SMILES O=C(Oc1cn(c(CSc2nc3ccccc3o2)cc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N2O4S/c29-22-15-20(17-33-26-27-21-13-7-8-14-23(21)32-26)28(19-11-5-2-6-12-19)16-24(22)31-25(30)18-9-3-1-4-10-18/h1-16H,17H2
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n/an/a 5.19E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens (Human))
BDBM50444297
PNG
(CHEMBL3093815)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444310
PNG
(CHEMBL3093819)
Show SMILES CCC(CC)C(=O)Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O
Show InChI InChI=1S/C20H20N2O4S2/c1-3-13(4-2)19(24)26-17-11-25-15(10-16(17)23)12-27-20-22-21-18(28-20)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444309
PNG
(CHEMBL3093818)
Show SMILES O=C(Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O)c1ccccc1
Show InChI InChI=1S/C21H14N2O4S2/c24-17-11-16(26-12-18(17)27-20(25)15-9-5-2-6-10-15)13-28-21-23-22-19(29-21)14-7-3-1-4-8-14/h1-12H,13H2
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n/an/a 1.43E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444298
PNG
(CHEMBL3093805)
Show SMILES Fc1cccc(c1)C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O
Show InChI InChI=1S/C19H14FN3O5S2/c20-12-3-1-2-11(6-12)17(26)28-15-8-27-13(7-14(15)24)9-29-19-23-22-18(30-19)21-16(25)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,21,22,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50444295
PNG
(CHEMBL3093806)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens (Human))
BDBM50444296
PNG
(CHEMBL3093814)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)
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n/an/a 4.75E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50444308
PNG
(CHEMBL3093817)
Show SMILES COc1ccccc1C(=O)Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O
Show InChI InChI=1S/C22H16N2O5S2/c1-27-18-10-6-5-9-16(18)21(26)29-19-12-28-15(11-17(19)25)13-30-22-24-23-20(31-22)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50444297
PNG
(CHEMBL3093815)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50444295
PNG
(CHEMBL3093806)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50444296
PNG
(CHEMBL3093814)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(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>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Cathepsin G


(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>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50444297
PNG
(CHEMBL3093815)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3
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Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens (Human))
BDBM50444295
PNG
(CHEMBL3093806)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)
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Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50444296
PNG
(CHEMBL3093814)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%