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BDBM50201702 (1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane-6-thione::CHEMBL390643

SMILES: S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1

InChI Key: InChIKey=BMIOGAIQRVIVKQ-WDEREUQCSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50201702   
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))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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PC sid
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Article
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n/an/a 606n/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))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 1.83E+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 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))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a>1.00E+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 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 L1


(Homo sapiens (Human))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 994n/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 (B and K)


(Homo sapiens (Human))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 519n/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))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a>1.00E+4n/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 S


(Homo sapiens (Human))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 696n/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))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 7.15E+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 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 V


(Homo sapiens (Human))
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 5.17E+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 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