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2 similar compounds to monomer 50121904

Compile data set for download or QSAR
Wt: 473.5
BDBM50121905
Wt: 459.4
BDBM50121912

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50121905,50121912   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Leukocyte elastase


(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>5.00E+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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
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 3.26E+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)


Article DOI: 10.1016/s0960-894x(02)00831-4
BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Leukocyte elastase


(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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PubMed
n/an/a>3.00E+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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(02)00831-4
BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair