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Compile Data Set for Download or QSAR

Found 483 hits of ph data with Target = 'Cathepsin S'   
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))
BDBM33973
PNG
(arylalkyne pyrazole-based compound, 4)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CCO
Show InChI InChI=1S/C23H29ClN4O4S/c1-33(30,31)27-10-7-22-20(17-27)23(19-5-6-21(24)18(16-19)4-2-13-29)25-28(22)9-3-8-26-11-14-32-15-12-26/h5-6,16,29H,3,7-15,17H2,1H3
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PubMed
n/an/a 7.90E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM34000
PNG
(tetrahydropyrido-pyrazole, 1)
Show SMILES COC(=O)C(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1C#N)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C30H33ClN6O4/c1-20-15-21(7-8-25(20)31)28-24-19-36(29(39)30(40)41-2)10-9-27(24)37(33-28)18-23(38)17-34-11-13-35(14-12-34)26-6-4-3-5-22(26)16-32/h3-8,15,23,38H,9-14,17-19H2,1-2H3
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n/an/a 120n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33975
PNG
(arylalkyne pyrazole-based compound, 6)
Show SMILES CC(C)CC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C26H35ClN4O3S/c1-20(2)6-4-7-21-18-22(8-9-24(21)27)26-23-19-30(35(3,32)33)13-10-25(23)31(28-26)12-5-11-29-14-16-34-17-15-29/h8-9,18,20H,5-6,10-17,19H2,1-3H3
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PubMed
n/an/a 8.30E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33976
PNG
(arylalkyne pyrazole-based compound, 7)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CC1CCCCC1
Show InChI InChI=1S/C28H37ClN4O3S/c1-37(34,35)32-15-12-27-25(21-32)28(30-33(27)14-5-13-31-16-18-36-19-17-31)24-10-11-26(29)23(20-24)9-8-22-6-3-2-4-7-22/h10-11,20,22H,2-7,12-19,21H2,1H3
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PubMed
n/an/a 6.70E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33977
PNG
(arylalkyne pyrazole-based compound, 8)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31ClN4O3S/c1-37(34,35)32-15-12-27-25(21-32)28(30-33(27)14-5-13-31-16-18-36-19-17-31)24-10-11-26(29)23(20-24)9-8-22-6-3-2-4-7-22/h2-4,6-7,10-11,20H,5,12-19,21H2,1H3
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n/an/a 610n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33978
PNG
(arylalkyne pyrazole-based compound, 9)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccs1
Show InChI InChI=1S/C26H29ClN4O3S2/c1-36(32,33)30-12-9-25-23(19-30)26(28-31(25)11-3-10-29-13-15-34-16-14-29)21-6-8-24(27)20(18-21)5-7-22-4-2-17-35-22/h2,4,6,8,17-18H,3,9-16,19H2,1H3
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PubMed
n/an/a 790n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33979
PNG
(arylalkyne pyrazole-based compound, 10)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccsc1
Show InChI InChI=1S/C26H29ClN4O3S2/c1-36(32,33)30-11-7-25-23(18-30)26(28-31(25)10-2-9-29-12-14-34-15-13-29)22-5-6-24(27)21(17-22)4-3-20-8-16-35-19-20/h5-6,8,16-17,19H,2,7,9-15,18H2,1H3
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n/an/a 1.50E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33980
PNG
(arylalkyne pyrazole-based compound, 11)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#C
Show InChI InChI=1S/C22H27ClN4O3S/c1-3-17-15-18(5-6-20(17)23)22-19-16-26(31(2,28)29)10-7-21(19)27(24-22)9-4-8-25-11-13-30-14-12-25/h1,5-6,15H,4,7-14,16H2,2H3
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PubMed
n/an/a 7.40E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33981
PNG
(arylalkyne pyrazole-based compound, 12)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1Cl
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-14-11-27-24(20-33)28(31-34(27)13-4-12-32-15-17-37-18-16-32)23-9-10-26(30)22(19-23)8-7-21-5-2-3-6-25(21)29/h2-3,5-6,9-10,19H,4,11-18,20H2,1H3
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n/an/a 720n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33982
PNG
(arylalkyne pyrazole-based compound, 13)
Show SMILES Cc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O3S/c1-22-6-3-4-7-23(22)8-9-24-20-25(10-11-27(24)30)29-26-21-33(38(2,35)36)15-12-28(26)34(31-29)14-5-13-32-16-18-37-19-17-32/h3-4,6-7,10-11,20H,5,12-19,21H2,1-2H3
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PubMed
n/an/a 1.10E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33983
PNG
(arylalkyne pyrazole-based compound, 14)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N4O3S/c1-41(38,39)36-14-11-27-24(20-36)28(34-37(27)13-4-12-35-15-17-40-18-16-35)23-9-10-26(30)22(19-23)8-7-21-5-2-3-6-25(21)29(31,32)33/h2-3,5-6,9-10,19H,4,11-18,20H2,1H3
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PubMed
n/an/a 870n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33984
PNG
(arylalkyne pyrazole-based compound, 15)
Show SMILES COc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O4S/c1-37-28-7-4-3-6-22(28)8-9-23-20-24(10-11-26(23)30)29-25-21-33(39(2,35)36)15-12-27(25)34(31-29)14-5-13-32-16-18-38-19-17-32/h3-4,6-7,10-11,20H,5,12-19,21H2,1-2H3
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PubMed
n/an/a 550n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33985
PNG
(arylalkyne pyrazole-based compound, 16)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-13-10-27-25(20-33)28(31-34(27)12-3-11-32-14-16-37-17-15-32)23-8-9-26(30)22(19-23)7-6-21-4-2-5-24(29)18-21/h2,4-5,8-9,18-19H,3,10-17,20H2,1H3
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PubMed
n/an/a 700n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33986
PNG
(arylalkyne pyrazole-based compound, 17)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N4O3S/c1-41(38,39)36-13-10-27-25(20-36)28(34-37(27)12-3-11-35-14-16-40-17-15-35)23-8-9-26(30)22(19-23)7-6-21-4-2-5-24(18-21)29(31,32)33/h2,4-5,8-9,18-19H,3,10-17,20H2,1H3
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PubMed
n/an/a 1.50E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33987
PNG
(arylalkyne pyrazole-based compound, 18)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-14-11-27-25(20-33)28(31-34(27)13-2-12-32-15-17-37-18-16-32)23-7-10-26(30)22(19-23)6-3-21-4-8-24(29)9-5-21/h4-5,7-10,19H,2,11-18,20H2,1H3
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PubMed
n/an/a 200n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33988
PNG
(arylalkyne pyrazole-based compound, 19)
Show SMILES Cc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O3S/c1-22-4-6-23(7-5-22)8-9-24-20-25(10-11-27(24)30)29-26-21-33(38(2,35)36)15-12-28(26)34(31-29)14-3-13-32-16-18-37-19-17-32/h4-7,10-11,20H,3,12-19,21H2,1-2H3
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PubMed
n/an/a 280n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33989
PNG
(arylalkyne pyrazole-based compound, 20)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N4O3S/c1-41(38,39)36-14-11-27-25(20-36)28(34-37(27)13-2-12-35-15-17-40-18-16-35)23-7-10-26(30)22(19-23)6-3-21-4-8-24(9-5-21)29(31,32)33/h4-5,7-10,19H,2,11-18,20H2,1H3
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n/an/a 280n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33990
PNG
(arylalkyne pyrazole-based compound, 21)
Show SMILES COc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O4S/c1-37-25-9-5-22(6-10-25)4-7-23-20-24(8-11-27(23)30)29-26-21-33(39(2,35)36)15-12-28(26)34(31-29)14-3-13-32-16-18-38-19-17-32/h5-6,8-11,20H,3,12-19,21H2,1-2H3
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n/an/a 480n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33991
PNG
(arylalkyne pyrazole-based compound, 22)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C28H32ClN5O3S/c1-38(35,36)33-14-11-27-25(20-33)28(31-34(27)13-2-12-32-15-17-37-18-16-32)23-7-10-26(29)22(19-23)6-3-21-4-8-24(30)9-5-21/h4-5,7-10,19H,2,11-18,20,30H2,1H3
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n/an/a 430n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33992
PNG
(arylalkyne pyrazole-based compound, 23)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H31ClN4O5S/c1-40(37,38)33-14-11-27-25(20-33)28(31-34(27)13-2-12-32-15-17-39-18-16-32)24-9-10-26(30)23(19-24)8-5-21-3-6-22(7-4-21)29(35)36/h3-4,6-7,9-10,19H,2,11-18,20H2,1H3,(H,35,36)
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n/an/a 510n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33993
PNG
(arylalkyne pyrazole-based compound, 24)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H29Cl3N4O3S/c1-39(36,37)34-12-9-27-23(19-34)28(32-35(27)11-2-10-33-13-15-38-16-14-33)22-6-8-24(29)21(18-22)5-3-20-4-7-25(30)26(31)17-20/h4,6-8,17-18H,2,9-16,19H2,1H3
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n/an/a 320n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33994
PNG
(arylalkyne pyrazole-based compound, 28)
Show SMILES Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)c1ccccn1
Show InChI InChI=1S/C33H31Cl2N5O2/c34-27-10-6-24(7-11-27)5-8-25-22-26(9-12-29(25)35)32-28-23-39(33(41)30-4-1-2-14-36-30)17-13-31(28)40(37-32)16-3-15-38-18-20-42-21-19-38/h1-2,4,6-7,9-12,14,22H,3,13,15-21,23H2
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n/an/a 140n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33995
PNG
(arylalkyne pyrazole-based compound, 29)
Show SMILES Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)c1ccco1
Show InChI InChI=1S/C32H30Cl2N4O3/c33-26-9-5-23(6-10-26)4-7-24-21-25(8-11-28(24)34)31-27-22-37(32(39)30-3-1-18-41-30)15-12-29(27)38(35-31)14-2-13-36-16-19-40-20-17-36/h1,3,5-6,8-11,18,21H,2,12-17,19-20,22H2
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n/an/a 330n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33996
PNG
(arylalkyne pyrazole-based compound, 30)
Show SMILES Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)C1CCCO1
Show InChI InChI=1S/C32H34Cl2N4O3/c33-26-9-5-23(6-10-26)4-7-24-21-25(8-11-28(24)34)31-27-22-37(32(39)30-3-1-18-41-30)15-12-29(27)38(35-31)14-2-13-36-16-19-40-20-17-36/h5-6,8-11,21,30H,1-3,12-20,22H2
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n/an/a 310n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33997
PNG
(arylalkyne pyrazole-based compound, 31)
Show SMILES CC(=O)OCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H32Cl2N4O4/c1-22(38)41-21-30(39)36-14-11-29-27(20-36)31(34-37(29)13-2-12-35-15-17-40-18-16-35)25-7-10-28(33)24(19-25)6-3-23-4-8-26(32)9-5-23/h4-5,7-10,19H,2,11-18,20-21H2,1H3
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n/an/a 280n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33998
PNG
(arylalkyne pyrazole-based compound, 32)
Show SMILES OCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H30Cl2N4O3/c30-24-7-3-21(4-8-24)2-5-22-18-23(6-9-26(22)31)29-25-19-34(28(37)20-36)13-10-27(25)35(32-29)12-1-11-33-14-16-38-17-15-33/h3-4,6-9,18,36H,1,10-17,19-20H2
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n/an/a 220n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin S


(Homo sapiens (Human))
BDBM33999
PNG
(arylalkyne pyrazole-based compound, 33)
Show SMILES COC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-39-30(38)29(37)35-14-11-27-25(20-35)28(33-36(27)13-2-12-34-15-17-40-18-16-34)23-7-10-26(32)22(19-23)6-3-21-4-8-24(31)9-5-21/h4-5,7-10,19H,2,11-18,20H2,1H3
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n/an/a 40n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33974
PNG
(arylalkyne pyrazole-based compound, 5)
Show SMILES CCCCC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C26H35ClN4O3S/c1-3-4-5-6-8-21-19-22(9-10-24(21)27)26-23-20-30(35(2,32)33)14-11-25(23)31(28-26)13-7-12-29-15-17-34-18-16-29/h9-10,19H,3-5,7,11-18,20H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19622
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1
Show InChI InChI=1S/C26H33ClN4O3/c1-17(16-28-19-11-13-20(33-2)14-12-19)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)34-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
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1 -53.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19627
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C29H36ClFN4O2/c1-18(16-35-17-29(2,3)21-15-20(31)12-13-25(21)35)32-27(36)24(14-19-8-5-4-6-9-19)34-28-33-23-11-7-10-22(30)26(23)37-28/h7,10-13,15,18-19,24H,4-6,8-9,14,16-17H2,1-3H3,(H,32,36)(H,33,34)/t18-,24-/m0/s1
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3 -50.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19716
PNG
((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...)
Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C26H39F3N4O6S/c1-40(36,37)16-11-21(18-30-20-7-9-22(10-8-20)39-26(27,28)29)31-24(34)23(17-19-5-3-2-4-6-19)32-25(35)33-12-14-38-15-13-33/h7-10,19,21,23,30H,2-6,11-18H2,1H3,(H,31,34)(H,32,35)/t21-,23-/m0/s1
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5 -49.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19631
PNG
((2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzy...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1
Show InChI InChI=1S/C34H39FN4O3/c35-27-15-16-31-26(20-27)17-18-39(31)21-28(23-41-22-25-11-5-2-6-12-25)36-33(40)30(19-24-9-3-1-4-10-24)38-34-37-29-13-7-8-14-32(29)42-34/h2,5-8,11-16,20,24,28,30H,1,3-4,9-10,17-19,21-23H2,(H,36,40)(H,37,38)/t28-,30+/m1/s1
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5 -49.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19649
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...)
Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23+/m1/s1
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5 -49.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19612
PNG
((3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O
Show InChI InChI=1S/C27H34FN3O5/c1-27(2,3)15-22(30-25(34)18-6-5-7-21(13-18)36-4)26(35)29-20(14-24(32)33)16-31-11-10-17-12-19(28)8-9-23(17)31/h5-9,12-13,20,22H,10-11,14-16H2,1-4H3,(H,29,35)(H,30,34)(H,32,33)/t20-,22-/m0/s1
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6 -48.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19704
PNG
((2S)-3-cyclohexyl-2-(furan-3-ylformamido)-N-(2-{[4...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1
Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-11-12-28-22(31)20(14-16-4-2-1-3-5-16)29-21(30)17-10-13-32-15-17/h6-10,13,15-16,20,27H,1-5,11-12,14H2,(H,28,31)(H,29,30)/t20-/m0/s1
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6 -48.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19606
PNG
((2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCN1CCOCC1)CN1CCc2cc(F)ccc12
Show InChI InChI=1S/C34H47FN4O4/c1-42-30-9-5-8-27(23-30)33(40)37-31(12-10-25-6-3-2-4-7-25)34(41)36-29(15-16-38-18-20-43-21-19-38)24-39-17-14-26-22-28(35)11-13-32(26)39/h5,8-9,11,13,22-23,25,29,31H,2-4,6-7,10,12,14-21,24H2,1H3,(H,36,41)(H,37,40)/t29-,31-/m0/s1
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7 -48.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19603
PNG
((2S)-4-cyclohexyl-N-[(2R,3R)-1-(5-fluoro-2,3-dihyd...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)O
Show InChI InChI=1S/C30H40FN3O4/c1-20(35)27(19-34-16-15-22-17-24(31)12-14-28(22)34)33-30(37)26(13-11-21-7-4-3-5-8-21)32-29(36)23-9-6-10-25(18-23)38-2/h6,9-10,12,14,17-18,20-21,26-27,35H,3-5,7-8,11,13,15-16,19H2,1-2H3,(H,32,36)(H,33,37)/t20-,26+,27-/m1/s1
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8 -48.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19682
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-18(2)22(17-30-20-8-10-21(11-9-20)37-26(27,28)29)31-25(34)36-23(16-19-6-4-3-5-7-19)24(33)32-12-14-35-15-13-32/h8-11,18-19,22-23,30H,3-7,12-17H2,1-2H3,(H,31,34)/t22-,23+/m1/s1
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8 -48.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19679
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C32H42FN3O5/c33-27-11-12-29-26(20-27)13-14-36(29)21-28(23-40-22-25-9-5-2-6-10-25)34-32(38)41-30(19-24-7-3-1-4-8-24)31(37)35-15-17-39-18-16-35/h2,5-6,9-12,20,24,28,30H,1,3-4,7-8,13-19,21-23H2,(H,34,38)/t28-,30+/m1/s1
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8 -48.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19549
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H35N3O3/c1-19-7-6-10-21(17-19)25(30)29-24(18-20-8-4-3-5-9-20)26(31)28-16-15-27-22-11-13-23(32-2)14-12-22/h6-7,10-14,17,20,24,27H,3-5,8-9,15-16,18H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
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9.70 -47.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19623
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CNc1ccc(cc1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C26H33ClN4O4S/c1-17(16-28-19-11-13-20(14-12-19)36(2,33)34)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)35-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19726
PNG
((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C27H41FN4O3/c1-19(17-32-18-27(2,3)22-16-21(28)9-10-24(22)32)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19714
PNG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H35F3N4O4/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-22(32)21(15-18-5-3-2-4-6-18)30-23(33)31-11-13-34-14-12-31/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19715
PNG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C25H37F3N4O4/c1-2-19(17-29-20-8-10-21(11-9-20)36-25(26,27)28)30-23(33)22(16-18-6-4-3-5-7-18)31-24(34)32-12-14-35-15-13-32/h8-11,18-19,22,29H,2-7,12-17H2,1H3,(H,30,33)(H,31,34)/t19-,22-/m0/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19655
PNG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19700
PNG
((2S)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C30H31F6N3O4/c31-29(32,33)21-8-4-7-20(18-21)25-13-14-26(42-25)28(41)39-24(17-19-5-2-1-3-6-19)27(40)38-16-15-37-22-9-11-23(12-10-22)43-30(34,35)36/h4,7-14,18-19,24,37H,1-3,5-6,15-17H2,(H,38,40)(H,39,41)/t24-/m0/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19646
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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11 -47.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19712
PNG
((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1
Show InChI InChI=1S/C25H36F3N3O4/c1-17(16-29-20-7-9-21(10-8-20)35-25(26,27)28)30-24(33)22(15-18-5-3-2-4-6-18)31-23(32)19-11-13-34-14-12-19/h7-10,17-19,22,29H,2-6,11-16H2,1H3,(H,30,33)(H,31,32)/t17-,22-/m0/s1
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12 -47.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19722
PNG
((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C25H31F3N4O4S/c1-18(15-29-20-7-9-21(10-8-20)36-25(26,27)28)30-23(33)22(17-37-16-19-5-3-2-4-6-19)31-24(34)32-11-13-35-14-12-32/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
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12 -47.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19634
PNG
((3S)-3-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cycloh...)
Show SMILES OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1
Show InChI InChI=1S/C28H33FN4O4/c29-20-10-11-24-19(15-20)12-13-33(24)17-21(16-26(34)35)30-27(36)23(14-18-6-2-1-3-7-18)32-28-31-22-8-4-5-9-25(22)37-28/h4-5,8-11,15,18,21,23H,1-3,6-7,12-14,16-17H2,(H,30,36)(H,31,32)(H,34,35)/t21-,23-/m0/s1
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12 -47.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
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