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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'agrofoglio' and Initial = 'la'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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n/an/a 17n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197926
PNG
(CHEMBL3976011)
Show SMILES N#Cc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197925
PNG
(CHEMBL3905213)
Show SMILES O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1 |r|
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197888
PNG
(CHEMBL3902967)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197889
PNG
(CHEMBL3922171)
Show SMILES Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197892
PNG
(CHEMBL3949917)
Show SMILES N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197891
PNG
(CHEMBL3917915)
Show SMILES COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197888
PNG
(CHEMBL3902967)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197927
PNG
(CHEMBL3927922)
Show SMILES N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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n/an/a 34n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197928
PNG
(CHEMBL3945803)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|
PDB
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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n/an/a 45n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197927
PNG
(CHEMBL3927922)
Show SMILES N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
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n/an/a 57n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
PDB
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n/an/a 57n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197889
PNG
(CHEMBL3922171)
Show SMILES Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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n/an/a 60n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197926
PNG
(CHEMBL3976011)
Show SMILES N#Cc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 67n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|
PDB
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n/an/a 68n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197925
PNG
(CHEMBL3905213)
Show SMILES O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1 |r|
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n/an/a 70n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
PDB
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n/an/a 79n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50197892
PNG
(CHEMBL3949917)
Show SMILES N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1
PDB
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n/an/a 80n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 90n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197928
PNG
(CHEMBL3945803)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 102n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197927
PNG
(CHEMBL3927922)
Show SMILES N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
PDB
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n/an/a 113n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 136n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|
PDB
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n/an/a 136n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50197891
PNG
(CHEMBL3917915)
Show SMILES COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 136n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50197891
PNG
(CHEMBL3917915)
Show SMILES COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
PDB
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n/an/a 226n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method


Eur J Med Chem 121: 12-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.009
BindingDB Entry DOI: 10.7270/Q22J6DTR
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50317617
PNG
(3'-(4-(4-Fluorophenyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(F)cc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H18FN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50317618
PNG
(3'-(4-(2-Phenyl-ethyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCc3ccccc3)nn2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H23N5O4/c1-13-10-24(20(28)21-19(13)27)18-9-16(17(12-26)29-18)25-11-15(22-23-25)8-7-14-5-3-2-4-6-14/h2-6,10-11,16-18,26H,7-9,12H2,1H3,(H,21,27,28)/t16-,17+,18+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50317617
PNG
(3'-(4-(4-Fluorophenyl)-1,2,3-triazole-1-yl)-2'-deo...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(F)cc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H18FN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1
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n/an/a 7.10E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase


(Ureaplasma parvum)
BDBM50314837
PNG
(3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-t...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m0/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
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