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PubMed code 27214508

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)
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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 K


(Homo sapiens (human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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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
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 17n/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 (S and K)


(Homo sapiens (Human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)
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n/an/a 17n/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 and K)


(Homo sapiens (Human))
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)
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n/an/a 17n/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 and K)


(Homo sapiens (Human))
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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n/an/a 17n/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 K


(Homo sapiens (human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-4-2-1-3-5-11)22-16(21-14)19-12-6-8-13(9-7-12)23(24)25/h6-9,11H,1-5H2,(H2,18,19,20,21,22)
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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))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-1-3-11(4-2-10)22(23)24)20-14(19-12)21-7-5-16-6-8-21/h1-4,16H,5-8H2,(H,17,18,19,20)
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n/an/a 17n/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 K


(Homo sapiens (human))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)
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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))
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)
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n/an/a 17n/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 K


(Homo sapiens (human))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-1-3-11(4-2-10)22(23)24)20-14(19-12)21-7-5-16-6-8-21/h1-4,16H,5-8H2,(H,17,18,19,20)
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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 S


(Homo sapiens (Human))
BDBM50197892
PNG
(CHEMBL3949917)
Show SMILES N#Cc1nc(NCCc2ccccc2)nc(NC2CCCCC2)n1
Show InChI InChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)
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n/an/a 23n/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 and K)


(Homo sapiens (Human))
BDBM50197925
PNG
(CHEMBL3905213)
Show SMILES O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1
Show InChI InChI=1S/C18H22N6O/c19-11-16-22-17(20-12-15(25)13-7-3-1-4-8-13)24-18(23-16)21-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,25H,2,5-6,9-10,12H2,(H2,20,21,22,23,24)/t15-/m0/s1
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n/an/a 23n/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 and K)


(Homo sapiens (Human))
BDBM50197923
PNG
(CHEMBL3962225)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-1-3-11(4-2-10)22(23)24)20-14(19-12)21-7-5-16-6-8-21/h1-4,16H,5-8H2,(H,17,18,19,20)
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n/an/a 23n/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 and K)


(Homo sapiens (Human))
BDBM50197889
PNG
(CHEMBL3922171)
Show SMILES Cc1cccc(CNc2nc(NC3CCCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C18H22N6/c1-13-6-5-7-14(10-13)12-20-17-22-16(11-19)23-18(24-17)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,12H2,1H3,(H2,20,21,22,23,24)
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n/an/a 23n/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))
BDBM50197888
PNG
(CHEMBL3902967)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H14F3N7/c16-15(17,18)10-1-3-11(4-2-10)21-13-22-12(9-19)23-14(24-13)25-7-5-20-6-8-25/h1-4,20H,5-8H2,(H,21,22,23,24)
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n/an/a 23n/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 K


(Homo sapiens (human))
BDBM50197891
PNG
(CHEMBL3917915)
Show SMILES COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C17H20N6O/c1-24-14-9-7-13(8-10-14)20-17-22-15(11-18)21-16(23-17)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22,23)
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n/an/a 23n/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))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)
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n/an/a 23n/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 (S and K)


(Homo sapiens (Human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1
Show InChI InChI=1S/C16H19N7O/c17-10-14-20-15(19-11-13(24)12-4-2-1-3-5-12)22-16(21-14)23-8-6-18-7-9-23/h1-5,13,18,24H,6-9,11H2,(H,19,20,21,22)/t13-/m0/s1
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n/an/a 23n/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 K


(Homo sapiens (human))
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)
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n/an/a 23n/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 and K)


(Homo sapiens (Human))
BDBM50197926
PNG
(CHEMBL3976011)
Show SMILES N#Cc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C17H17N7/c18-10-12-6-8-14(9-7-12)21-17-23-15(11-19)22-16(24-17)20-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H2,20,21,22,23,24)
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n/an/a 23n/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 K


(Homo sapiens (human))
BDBM50197888
PNG
(CHEMBL3902967)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H14F3N7/c16-15(17,18)10-1-3-11(4-2-10)21-13-22-12(9-19)23-14(24-13)25-7-5-20-6-8-25/h1-4,20H,5-8H2,(H,21,22,23,24)
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n/an/a 28n/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 and K)


(Homo sapiens (Human))
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)
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n/an/a 28n/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 K


(Homo sapiens (human))
BDBM50197927
PNG
(CHEMBL3927922)
Show SMILES N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H14N8/c16-9-11-1-3-12(4-2-11)19-14-20-13(10-17)21-15(22-14)23-7-5-18-6-8-23/h1-4,18H,5-8H2,(H,19,20,21,22)
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n/an/a 28n/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))
BDBM50197928
PNG
(CHEMBL3945803)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)11-6-8-13(9-7-11)23-16-25-14(10-21)24-15(26-16)22-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,22,23,24,25,26)
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n/an/a 34n/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)
BDBM50197893
PNG
(CHEMBL3893204)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C14H14N8O2/c15-9-12-18-13(17-10-2-1-3-11(8-10)22(23)24)20-14(19-12)21-6-4-16-5-7-21/h1-3,8,16H,4-7H2,(H,17,18,19,20)
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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 (L and K)


(Homo sapiens (human))
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1
Show InChI InChI=1S/C16H19N7O/c17-10-14-20-15(19-11-13(24)12-4-2-1-3-5-12)22-16(21-14)23-8-6-18-7-9-23/h1-5,13,18,24H,6-9,11H2,(H,19,20,21,22)/t13-/m0/s1
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n/an/a 45n/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)
BDBM50197890
PNG
(CHEMBL3930949)
Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)
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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)
BDBM50197927
PNG
(CHEMBL3927922)
Show SMILES N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
Show InChI InChI=1S/C15H14N8/c16-9-11-1-3-12(4-2-11)19-14-20-13(10-17)21-15(22-14)23-7-5-18-6-8-23/h1-4,18H,5-8H2,(H,19,20,21,22)
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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)
BDBM50197886
PNG
(CHEMBL3936923)
Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)
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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
Show InChI InChI=1S/C18H22N6/c1-13-6-5-7-14(10-13)12-20-17-22-16(11-19)23-18(24-17)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,12H2,1H3,(H2,20,21,22,23,24)
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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
Show InChI InChI=1S/C17H17N7/c18-10-12-6-8-14(9-7-12)21-17-23-15(11-19)22-16(24-17)20-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H2,20,21,22,23,24)
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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
Show InChI InChI=1S/C16H19N7O/c17-10-14-20-15(19-11-13(24)12-4-2-1-3-5-12)22-16(21-14)23-8-6-18-7-9-23/h1-5,13,18,24H,6-9,11H2,(H,19,20,21,22)/t13-/m0/s1
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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
Show InChI InChI=1S/C18H22N6O/c19-11-16-22-17(20-12-15(25)13-7-3-1-4-8-13)24-18(23-16)21-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,25H,2,5-6,9-10,12H2,(H2,20,21,22,23,24)/t15-/m0/s1
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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)
BDBM50197929
PNG
(CHEMBL3954506)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)
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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
Show InChI InChI=1S/C18H22N6/c19-13-16-22-17(20-12-11-14-7-3-1-4-8-14)24-18(23-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-12H2,(H2,20,21,22,23,24)
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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 and K)


(Homo sapiens (Human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-4-2-1-3-5-11)22-16(21-14)19-12-6-8-13(9-7-12)23(24)25/h6-9,11H,1-5H2,(H2,18,19,20,21,22)
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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 and K)


(Homo sapiens (Human))
BDBM50197928
PNG
(CHEMBL3945803)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)11-6-8-13(9-7-11)23-16-25-14(10-21)24-15(26-16)22-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,22,23,24,25,26)
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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
Show InChI InChI=1S/C15H14N8/c16-9-11-1-3-12(4-2-11)19-14-20-13(10-17)21-15(22-14)23-7-5-18-6-8-23/h1-4,18H,5-8H2,(H,19,20,21,22)
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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 (B and K)


(Homo sapiens)
BDBM50197887
PNG
(CHEMBL3899928)
Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1
Show InChI InChI=1S/C16H19N7O/c17-10-14-20-15(19-11-13(24)12-4-2-1-3-5-12)22-16(21-14)23-8-6-18-7-9-23/h1-5,13,18,24H,6-9,11H2,(H,19,20,21,22)/t13-/m0/s1
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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 (L and K)


(Homo sapiens (human))
BDBM50197924
PNG
(CHEMBL3926874)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-4-2-1-3-5-11)22-16(21-14)19-12-6-8-13(9-7-12)23(24)25/h6-9,11H,1-5H2,(H2,18,19,20,21,22)
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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 (S and K)


(Homo sapiens (Human))
BDBM50197891
PNG
(CHEMBL3917915)
Show SMILES COc1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C17H20N6O/c1-24-14-9-7-13(8-10-14)20-17-22-15(11-18)21-16(23-17)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22,23)
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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
Show InChI InChI=1S/C17H20N6O/c1-24-14-9-7-13(8-10-14)20-17-22-15(11-18)21-16(23-17)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,19,20,21,22,23)
PDB
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Reactome pathway
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UniProtKB/SwissProt

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Article
PubMed
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
* indicates data uncertainty>20%