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BDBM50201707 5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin-2-one::CHEMBL397973

SMILES: CN1CC(COc2cccc(C)c2C)OC1=O

InChI Key: InChIKey=UWNKJJCNLMBGKB-UHFFFAOYSA-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 = 50201707   
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
Pro-cathepsin H


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 K


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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 F


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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 B


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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
Procathepsin L


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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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 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 L2


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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UniProtKB/TrEMBL

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UniChem
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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 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 K


(Homo sapiens (Human))
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
PDB
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Reactome pathway
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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 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