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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50012715   
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))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 0n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121907
PNG
(CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121907
PNG
(CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121903
PNG
(CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121912
PNG
(CHEMBL282602 | [(S)-1-((3S,4S)-2-Oxo-4-phenoxy-aze...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121908
PNG
(3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxy...)
Show SMILES O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O6/c33-24(17-16-20-10-4-1-5-11-20)38-28-25(27(35)32-28)31-26(34)23(18-21-12-6-2-7-13-21)30-29(36)37-19-22-14-8-3-9-15-22/h1-15,23,25,28H,16-19H2,(H,30,36)(H,31,34)(H,32,35)/t23-,25+,28-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121908
PNG
(3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxy...)
Show SMILES O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O6/c33-24(17-16-20-10-4-1-5-11-20)38-28-25(27(35)32-28)31-26(34)23(18-21-12-6-2-7-13-21)30-29(36)37-19-22-14-8-3-9-15-22/h1-15,23,25,28H,16-19H2,(H,30,36)(H,31,34)(H,32,35)/t23-,25+,28-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121908
PNG
(3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxy...)
Show SMILES O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O6/c33-24(17-16-20-10-4-1-5-11-20)38-28-25(27(35)32-28)31-26(34)23(18-21-12-6-2-7-13-21)30-29(36)37-19-22-14-8-3-9-15-22/h1-15,23,25,28H,16-19H2,(H,30,36)(H,31,34)(H,32,35)/t23-,25+,28-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121903
PNG
(CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121906
PNG
(CHEMBL31363 | [(S)-1-((2S,3S)-2-Isobutoxy-4-oxo-az...)
Show SMILES CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-16(2)14-31-23-20(22(29)27-23)26-21(28)19(13-17-9-5-3-6-10-17)25-24(30)32-15-18-11-7-4-8-12-18/h3-12,16,19-20,23H,13-15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121912
PNG
(CHEMBL282602 | [(S)-1-((3S,4S)-2-Oxo-4-phenoxy-aze...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121910
PNG
(CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...)
Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121910
PNG
(CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...)
Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 163n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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n/an/a 166n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121912
PNG
(CHEMBL282602 | [(S)-1-((3S,4S)-2-Oxo-4-phenoxy-aze...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121907
PNG
(CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121910
PNG
(CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...)
Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 355n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121906
PNG
(CHEMBL31363 | [(S)-1-((2S,3S)-2-Isobutoxy-4-oxo-az...)
Show SMILES CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-16(2)14-31-23-20(22(29)27-23)26-21(28)19(13-17-9-5-3-6-10-17)25-24(30)32-15-18-11-7-4-8-12-18/h3-12,16,19-20,23H,13-15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121906
PNG
(CHEMBL31363 | [(S)-1-((2S,3S)-2-Isobutoxy-4-oxo-az...)
Show SMILES CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-16(2)14-31-23-20(22(29)27-23)26-21(28)19(13-17-9-5-3-6-10-17)25-24(30)32-15-18-11-7-4-8-12-18/h3-12,16,19-20,23H,13-15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121905
PNG
(CHEMBL284984 | [(S)-1-((2S,3S)-2-Benzyloxy-4-oxo-a...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-24(29-23-25(32)30-26(23)34-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-27(33)35-18-21-14-8-3-9-15-21/h1-15,22-23,26H,16-18H2,(H,28,33)(H,29,31)(H,30,32)/t22-,23+,26-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121903
PNG
(CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121905
PNG
(CHEMBL284984 | [(S)-1-((2S,3S)-2-Benzyloxy-4-oxo-a...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-24(29-23-25(32)30-26(23)34-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-27(33)35-18-21-14-8-3-9-15-21/h1-15,22-23,26H,16-18H2,(H,28,33)(H,29,31)(H,30,32)/t22-,23+,26-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121914
PNG
(CHEMBL281672 | [(S)-1-((S)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121905
PNG
(CHEMBL284984 | [(S)-1-((2S,3S)-2-Benzyloxy-4-oxo-a...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-24(29-23-25(32)30-26(23)34-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-27(33)35-18-21-14-8-3-9-15-21/h1-15,22-23,26H,16-18H2,(H,28,33)(H,29,31)(H,30,32)/t22-,23+,26-/m0/s1
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PubMed
n/an/a 3.96E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121913
PNG
(CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121913
PNG
(CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121906
PNG
(CHEMBL31363 | [(S)-1-((2S,3S)-2-Isobutoxy-4-oxo-az...)
Show SMILES CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-16(2)14-31-23-20(22(29)27-23)26-21(28)19(13-17-9-5-3-6-10-17)25-24(30)32-15-18-11-7-4-8-12-18/h3-12,16,19-20,23H,13-15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 6.46E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121910
PNG
(CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...)
Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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n/an/a 7.01E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 7.39E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121908
PNG
(3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxy...)
Show SMILES O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O6/c33-24(17-16-20-10-4-1-5-11-20)38-28-25(27(35)32-28)31-26(34)23(18-21-12-6-2-7-13-21)30-29(36)37-19-22-14-8-3-9-15-22/h1-15,23,25,28H,16-19H2,(H,30,36)(H,31,34)(H,32,35)/t23-,25+,28-/m0/s1
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n/an/a 9.71E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase(HLE)


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121907
PNG
(CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121912
PNG
(CHEMBL282602 | [(S)-1-((3S,4S)-2-Oxo-4-phenoxy-aze...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121913
PNG
(CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
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