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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50040298   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 80 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 80 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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33n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392210
PNG
(CHEMBL2153163)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4S2/c1-10(2)8-23(20,21)9-11(13(18)16-6-5-15)17-14(19)12-4-3-7-22-12/h3-4,7,10-11H,6,8-9H2,1-2H3,(H,16,18)(H,17,19)
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45n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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61n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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61n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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76n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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89n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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94n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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100n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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200n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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1.10E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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3.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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5.10E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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5.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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6.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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6.80E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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7.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392210
PNG
(CHEMBL2153163)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4S2/c1-10(2)8-23(20,21)9-11(13(18)16-6-5-15)17-14(19)12-4-3-7-22-12/h3-4,7,10-11H,6,8-9H2,1-2H3,(H,16,18)(H,17,19)
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2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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3.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis


J Med Chem 55: 5982-6 (2012)


Article DOI: 10.1021/jm300734k
BindingDB Entry DOI: 10.7270/Q2833T40
More data for this
Ligand-Target Pair
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