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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 174.1
BDBM50171289
Purchase
Wt: 372.1
BDBM50270029
Wt: 312.4
BDBM50270040
Wt: 311.4
BDBM50310690
Wt: 311.2
BDBM50384104
Wt: 219.2
BDBM50384108
Wt: 263.2
BDBM50384111
Wt: 283.3
BDBM50384112
Wt: 375.4
BDBM50444297
Wt: 375.4
BDBM50063052
Wt: 361.4
BDBM50063048
Wt: 369.4
BDBM50101983
Wt: 380.4
BDBM50101987
Wt: 376.4
BDBM50101988
Wt: 355.3
BDBM50101989
Displayed 1 to 15 (of 37 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 68 hits in this display   
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)
BDBM50063048
PNG
(CHEMBL3398147)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
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n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101989
PNG
(CHEMBL3398154)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO5/c1-20(2,3)19(24)26-14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18(23)25-4/h5-12H,1-4H3,(H,21,22)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101988
PNG
(CHEMBL3398153)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N/O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12-
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101983
PNG
(CHEMBL3398155)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23NO5/c1-5-26-19(24)16-8-6-7-9-17(16)22-18(23)14-10-12-15(13-11-14)27-20(25)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50270029
PNG
(2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N
Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50063052
PNG
(CHEMBL3398143)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101987
PNG
(CHEMBL3398163)
Show SMILES CC(C)(C)S(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-17(2,3)24(21)18-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,18-19H,1-3H3
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Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063052
PNG
(CHEMBL3398143)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063048
PNG
(CHEMBL3398147)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310690
PNG
(CHEMBL1078411 | Cis-(S)-2-amino-N-((1R,2R)-1-cyano...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1
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Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C


Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101988
PNG
(CHEMBL3398153)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N/O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12-
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n/an/a 39n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50063052
PNG
(CHEMBL3398143)
Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
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n/an/a 47n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101983
PNG
(CHEMBL3398155)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23NO5/c1-5-26-19(24)16-8-6-7-9-17(16)22-18(23)14-10-12-15(13-11-14)27-20(25)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
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n/an/a 48n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101988
PNG
(CHEMBL3398153)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N/O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12-
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n/an/a 53n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101989
PNG
(CHEMBL3398154)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO5/c1-20(2,3)19(24)26-14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18(23)25-4/h5-12H,1-4H3,(H,21,22)
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n/an/a 82n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
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
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Myeloblastin


(Mus musculus)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of cathepsin G processing in human U937 cells by densitometry


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101989
PNG
(CHEMBL3398154)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO5/c1-20(2,3)19(24)26-14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18(23)25-4/h5-12H,1-4H3,(H,21,22)
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n/an/a 205n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50063048
PNG
(CHEMBL3398147)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O
Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
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n/an/a 205n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of neutrophil elastase processing in human U937 cells after 7 days by fluorogenic substrate cleavage assay


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50101983
PNG
(CHEMBL3398155)
Show SMILES CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23NO5/c1-5-26-19(24)16-8-6-7-9-17(16)22-18(23)14-10-12-15(13-11-14)27-20(25)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
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n/an/a 302n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Cathepsin G


(Mus musculus)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 833n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay


Bioorg Med Chem Lett 22: 4585-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.101
BindingDB Entry DOI: 10.7270/Q2GB255G
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
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 1.40E+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)
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
Leukocyte 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
Cathepsin (B and K)


(Homo sapiens)
BDBM50270029
PNG
(2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N
Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1
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n/an/a 2.94E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
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
Cathepsin L1


(Homo sapiens (human))
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50310690
PNG
(CHEMBL1078411 | Cis-(S)-2-amino-N-((1R,2R)-1-cyano...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50310690
PNG
(CHEMBL1078411 | Cis-(S)-2-amino-N-((1R,2R)-1-cyano...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
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
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50270029
PNG
(2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N
Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin H after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Leukocyte 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
Leukocyte proteinase 3


(Homo sapiens)
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
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
BindingDB Entry DOI: 10.7270/Q2J96753
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
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
Leukocyte proteinase 3


(Homo sapiens)
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
Leukocyte 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
Leukocyte 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
Leukocyte proteinase 3


(Homo sapiens)
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 1.92E+4n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis


J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50270029
PNG
(2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N
Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1
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n/an/a 2.95E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G in human U937 cells


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human U937 cells


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
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