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BDBM50042855 CHEMBL3354496

SMILES: COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O

InChI Key: InChIKey=SSLOWHLLWHTKDK-WEVVVXLNSA-N

Data: 5 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 5 hits for monomerid = 50042855   
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 S


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin C using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair