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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50045035   
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 S


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 1.00E+3n/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))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 5.60E+3n/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))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 8.10E+3n/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
Cathepsin K


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 9.50E+3n/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
Cathepsin L1


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a>1.10E+4n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 1.80E+4n/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))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 1.90E+4n/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
Cathepsin S


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 2.40E+4n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 6.60E+4n/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))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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n/an/a 7.30E+4n/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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 8.10E+4n/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
Cathepsin K


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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n/an/a 9.50E+4n/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
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 L1


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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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 L1


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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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 L1


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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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 L1


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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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 K


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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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
Cathepsin S


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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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 (B and K)


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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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
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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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
Cathepsin S


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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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 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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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 K


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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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
Cathepsin K


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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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
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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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 S


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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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 S


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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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 (B and K)


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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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
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
Cathepsin S


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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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 (B and K)


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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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
Cathepsin L1


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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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