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BDBM50201698 CHEMBL230473::rac-trans4-(2,3-dimethylphenoxy)-6-oxa-1-aza-bicyclo[3.2.1]octan-7-one

SMILES: Cc1cccc(O[C@H]2CCN3C[C@@H]2OC3=O)c1C

InChI Key: InChIKey=SIIJWJNEODXHNY-STQMWFEESA-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 = 50201698   
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))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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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PubMed
n/an/a 1.73E+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 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 (H and K)


(Homo sapiens (Human))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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>3.00E+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 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))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 553n/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))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 473n/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 V


(Homo sapiens (Human))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 3.32E+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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 46n/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))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 1.27E+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 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 F


(Homo sapiens (Human))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 5.91E+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 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 K


(Homo sapiens (Human))
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
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 2.44E+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