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9 similar compounds to monomer 50310690

Compile data set for download or QSAR
Wt: 330.3
BDBM50270031
Wt: 312.4
BDBM50270039
Wt: 312.4
BDBM50270040
Wt: 375.4
BDBM50310676
Wt: 299.3
BDBM50310678
Wt: 313.4
BDBM50310679
Wt: 263.3
BDBM50310687
Wt: 311.4
BDBM50310688
Wt: 311.4
BDBM50310689

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50270031,50270039,50270040,50310676,50310678,50310679,50310687,50310688,50310689   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 170n/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 elastase


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a>1.00E+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
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=1/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+/s2
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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
Cathepsin G


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310676
PNG
((S)-2-amino-N-((S)-1-cyano-2,2-diphenylethyl)-3-(t...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@H](C#N)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C22H21N3OS/c23-15-20(25-22(26)19(24)14-18-12-7-13-27-18)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,19-21H,14,24H2,(H,25,26)/t19-,20+/s2
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n/an/a 3.80n/an/an/an/an/an/a



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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310678
PNG
((S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiop...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1/C16H17N3OS/c17-11-13(9-12-5-2-1-3-6-12)19-16(20)15(18)10-14-7-4-8-21-14/h1-8,13,15H,9-10,18H2,(H,19,20)/t13-,15-/s2
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n/an/a 0.900n/an/an/an/an/an/a



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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310679
PNG
((S)-2-amino-N-((S)-1-cyano-3-phenylpropyl)-3-(thio...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1/C17H19N3OS/c18-12-14(9-8-13-5-2-1-3-6-13)20-17(21)16(19)11-15-7-4-10-22-15/h1-7,10,14,16H,8-9,11,19H2,(H,20,21)/t14-,16-/s2
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n/an/a 11n/an/an/an/an/an/a



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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310687
PNG
((2S)-2-amino-N-(1-cyano-2,2-dimethylcyclopropyl)-3...)
Show SMILES CC1(C)CC1(NC(=O)[C@@H](N)Cc1cccs1)C#N
Show InChI InChI=1/C13H17N3OS/c1-12(2)7-13(12,8-14)16-11(17)10(15)6-9-4-3-5-18-9/h3-5,10H,6-7,15H2,1-2H3,(H,16,17)/t10-,13?/s2
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n/an/a 63n/an/an/an/an/an/a



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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310688
PNG
(CHEMBL1081148 | trans-(+/-)-(2S)-2-amino-N-(1-cyan...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)NC1(CC1c1ccccc1)C#N
Show InChI InChI=1/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?/s2
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n/an/a 1.23E+3n/an/an/an/an/an/a



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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310689
PNG
(CHEMBL1080786 | cis-(S)-2-amino-N-((1S,2S)-1-cyano...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1/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+/s2
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n/an/a 17n/an/an/an/an/an/a



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
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=1/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+/s2
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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
Cathepsin G


(Mus musculus)
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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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
Myeloblastin


(Mus musculus)
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 150n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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n/an/a>3.00E+4n/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))
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=1/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+/s2
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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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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 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
Cathepsin (B and K)


(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=1/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+/s2
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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
Cathepsin L1


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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 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))
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=1/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+/s2
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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 (H and K)


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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 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
Cathepsin (H and K)


(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=1/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+/s2
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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 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
Cathepsin S


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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 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=1/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+/s2
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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 G


(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=1/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+/s2
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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
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=1/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+/s2
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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
Cathepsin G


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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n/an/a>3.00E+4n/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
Neutrophil elastase


(Mus musculus)
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 150n/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
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=1/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+/s2
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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
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=1/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+/s2
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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
Neutrophil elastase


(Mus musculus)
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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
Cathepsin G


(Mus musculus)
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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
Myeloblastin


(Mus musculus)
BDBM50270039
PNG
((S)-1-((1S,2S)-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=1/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+/s2
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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
Leukocyte proteinase 3


(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=1/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+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of proteinase-3 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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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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 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
Cathepsin L1


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 1.55E+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 S


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 3.34E+4n/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 G


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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n/an/a 90n/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
Cathepsin (H and K)


(Homo sapiens (Human))
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/s2
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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
Cathepsin G


(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=1/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+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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