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2 similar compounds to monomer 50201698

Compile data set for download or QSAR
Wt: 219.2
BDBM50201700
Wt: 247.2
BDBM50201701

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50201700,50201701   
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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 6.59E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin H


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 197n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin X


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 131n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 326n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin X


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 331n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens (Human))
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 487n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens (Human))
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin H


Bioorg Med Chem Lett 17: 1254-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.014
BindingDB Entry DOI: 10.7270/Q2QN66DT
More data for this
Ligand-Target Pair