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4 similar compounds to monomer 50121031

Compile data set for download or QSAR
Wt: 409.4
BDBM50121028
Wt: 409.4
BDBM50121030
Wt: 333.3
BDBM50121032
Wt: 409.4
BDBM50121034

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50121028,50121030,50121032,50121034   
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))
BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121030
PNG
(CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/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
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121030
PNG
(CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121030
PNG
(CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/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
In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121034
PNG
(CHEMBL332025 | [1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3...)
Show SMILES O=C(NC(Cc1ccccc1)C(=O)NC1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17?,18?,21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00766-7
BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50121030
PNG
(CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/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
In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121034
PNG
(CHEMBL332025 | [1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3...)
Show SMILES O=C(NC(Cc1ccccc1)C(=O)NC1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17?,18?,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00766-7
BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/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
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair