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PubMed code 17535802

Compile data set for download or QSAR
Found 91 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
Dipeptidyl peptidase 1


(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 |r|
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 1n/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 S


(Homo sapiens (Human))		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 1n/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		3D
3D Structure (crystal)
Cathepsin S


(Homo sapiens (Human))		BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 7n/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
Procathepsin L


(Homo sapiens (Human))		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 7n/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))		BDBM50270041
PNG
(4'-Iodo-biphenyl-4-carboxylic acid {1-[(S)-1-(2-di...)
Show SMILES CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C25H29IN4O3/c1-4-5-21(23(31)15-28-27)29-25(33)22(14-16(2)3)30-24(32)19-8-6-17(7-9-19)18-10-12-20(26)13-11-18/h6-13,15-16,21-22H,4-5,14H2,1-3H3,(H,29,33)(H,30,32)/t21-,22?/m0/s1
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n/an/a 9n/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 B


(Homo sapiens (Human))		BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 10n/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 S


(Homo sapiens (Human))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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n/an/a 10n/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
Procathepsin L


(Homo sapiens (Human))		BDBM50270041
PNG
(4'-Iodo-biphenyl-4-carboxylic acid {1-[(S)-1-(2-di...)
Show SMILES CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C25H29IN4O3/c1-4-5-21(23(31)15-28-27)29-25(33)22(14-16(2)3)30-24(32)19-8-6-17(7-9-19)18-10-12-20(26)13-11-18/h6-13,15-16,21-22H,4-5,14H2,1-3H3,(H,29,33)(H,30,32)/t21-,22?/m0/s1
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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
Procathepsin L


(Homo sapiens (Human))		BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 13n/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
Dipeptidyl peptidase 1


(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 |r|
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
Cathepsin B


(Homo sapiens (Human))		BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 40n/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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50270030
PNG
(2-Amino-N-((S)-1-benzyl-3-diazo-2-oxo-propyl)-acet...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
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n/an/a 51n/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


(Homo sapiens (Human))		BDBM50270041
PNG
(4'-Iodo-biphenyl-4-carboxylic acid {1-[(S)-1-(2-di...)
Show SMILES CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C25H29IN4O3/c1-4-5-21(23(31)15-28-27)29-25(33)22(14-16(2)3)30-24(32)19-8-6-17(7-9-19)18-10-12-20(26)13-11-18/h6-13,15-16,21-22H,4-5,14H2,1-3H3,(H,29,33)(H,30,32)/t21-,22?/m0/s1
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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
Procathepsin L


(Homo sapiens (Human))		BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 90n/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 (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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
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 |r|
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 (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 |r|
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)		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
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 |r|
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
Neutrophil 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 |r|
Show InChI InChI=1S/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+/m1/s1
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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
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 190n/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
Neutrophil 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 |r|
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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a>220n/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


(Homo sapiens (Human))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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n/an/a 280n/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
Procathepsin L


(Homo sapiens (Human))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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n/an/a 430n/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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50270041
PNG
(4'-Iodo-biphenyl-4-carboxylic acid {1-[(S)-1-(2-di...)
Show SMILES CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C25H29IN4O3/c1-4-5-21(23(31)15-28-27)29-25(33)22(14-16(2)3)30-24(32)19-8-6-17(7-9-19)18-10-12-20(26)13-11-18/h6-13,15-16,21-22H,4-5,14H2,1-3H3,(H,29,33)(H,30,32)/t21-,22?/m0/s1
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n/an/a 450n/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 S


(Homo sapiens (Human))		BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 470n/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


(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 |r|
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
Procathepsin L


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 560n/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


(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 |r|
Show InChI InChI=1S/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+/m1/s1
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n/an/a 690n/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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 770n/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 1


(Homo sapiens (Human))		BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
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n/an/a 790n/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 G


(Homo sapiens (Human))		BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a 1.10E+3n/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 G


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 1.20E+3n/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 B


(Homo sapiens (Human))		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 1.36E+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
Cathepsin S


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 1.60E+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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 1.90E+3n/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 B


(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 |r|
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
Cathepsin B


(Homo sapiens (Human))		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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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
Myeloblastin


(Mus musculus)		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 4.55E+3n/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
Procathepsin L


(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 |r|
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
Neutrophil elastase


(Mus musculus)		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 5.49E+3n/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 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 |r|
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
Neutrophil elastase


(Mus musculus)		BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
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n/an/a 7.93E+3n/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
Pro-cathepsin H


(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 |r|
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
Neutrophil elastase


(Mus musculus)		BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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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
Myeloblastin


(Mus musculus)		BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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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
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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 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
Neutrophil 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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


(Mus musculus)		BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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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 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 1


(Homo sapiens (Human))		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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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 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
Procathepsin L


(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 |r|
Show InChI InChI=1S/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+/m1/s1
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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 G


(Mus musculus)		BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 1.76E+4n/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)		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 2.12E+4n/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
Procathepsin L


(Homo sapiens (Human))		BDBM50270030
PNG
(2-Amino-N-((S)-1-benzyl-3-diazo-2-oxo-propyl)-acet...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
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n/an/a 2.55E+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
Neutrophil elastase


(Mus musculus)		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 2.55E+4n/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
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50270030
PNG
(2-Amino-N-((S)-1-benzyl-3-diazo-2-oxo-propyl)-acet...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
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n/an/a 2.90E+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
Procathepsin L


(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 |r|
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
Dipeptidyl peptidase 1


(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 |r|
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+/m0/s1
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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
Neutrophil 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 |r|
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+/m0/s1
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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
Cathepsin B


(Homo sapiens (Human))		BDBM50270030
PNG
(2-Amino-N-((S)-1-benzyl-3-diazo-2-oxo-propyl)-acet...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
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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 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 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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


(Mus musculus)		BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 3.98E+4n/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
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 |r|
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+/m0/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 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
Myeloblastin


(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 |r|
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>5.00E+4n/an/an/an/an/an/a



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
Pro-cathepsin H


(Homo sapiens (Human))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/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 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
Pro-cathepsin H


(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 |r|
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 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))		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/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
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 S


(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 |r|
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>5.00E+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


(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 |r|
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+/m0/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 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


(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 |r|
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 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
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 |r|
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+/m0/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 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 (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 |r|
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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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
Neutrophil 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 |r|
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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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


(Mus musculus)		BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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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
Neutrophil elastase


(Mus musculus)		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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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 B


(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 |r|
Show InChI InChI=1S/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+/m1/s1
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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 G


(Mus musculus)		BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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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
Neutrophil elastase


(Mus musculus)		BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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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
Neutrophil elastase


(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 |r|
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 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 B


(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 |r|
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+/m0/s1
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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
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 |r|
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+/m0/s1
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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
Pro-cathepsin H


(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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


(Mus musculus)		BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
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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
Cathepsin B


(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 |r|
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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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
Pro-cathepsin H


(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 |r|
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+/m0/s1
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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))		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 |r|
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+/m0/s1
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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
Procathepsin L


(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 |r|
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+/m0/s1
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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 (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 |r|
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 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
* indicates data uncertainty>20%