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9 similar compounds to monomer 25134

Compile data set for download or QSAR
Wt: 504.5
BDBM25135
Wt: 504.5
BDBM25136
Wt: 500.6
BDBM25137
Wt: 472.5
BDBM25138
Wt: 515.0
BDBM25139
Wt: 500.6
BDBM25140
Wt: 522.5
BDBM25141
Wt: 431.5
BDBM50252036
Wt: 417.5
BDBM50251942

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 25135,25136,25137,25138,25139,25140,25141,50252036,50251942   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 18n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50251942
PNG
(CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25137
PNG
(2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a 11n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25138
PNG
(2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3
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n/an/a 5n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25139
PNG
(2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1
Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3
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n/an/a 17n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25140
PNG
(2-cyano-pyrropyrimidine, 7f | 7-(2-cycloheptylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-14-16-34(17-15-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)13-12-23-6-4-2-3-5-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a 50n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a 10n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 14n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a 20n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 5.90E+3n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25136
PNG
(2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25137
PNG
(2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a 290n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25138
PNG
(2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3
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n/an/a 79n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25139
PNG
(2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1
Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3
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Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25140
PNG
(2-cyano-pyrropyrimidine, 7f | 7-(2-cycloheptylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-14-16-34(17-15-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)13-12-23-6-4-2-3-5-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a>2.00E+3n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a 5.40E+3n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25136
PNG
(2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25137
PNG
(2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25138
PNG
(2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25139
PNG
(2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1
Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25140
PNG
(2-cyano-pyrropyrimidine, 7f | 7-(2-cycloheptylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-14-16-34(17-15-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)13-12-23-6-4-2-3-5-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50252036
PNG
(CHEMBL481169 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H29N5O2/c1-2-24(31)28-20-8-10-22(11-9-20)32-17-21-14-19-16-27-23(15-26)29-25(19)30(21)13-12-18-6-4-3-5-7-18/h8-11,14,16,18H,2-7,12-13,17H2,1H3,(H,28,31)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50251942
PNG
(CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252036
PNG
(CHEMBL481169 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H29N5O2/c1-2-24(31)28-20-8-10-22(11-9-20)32-17-21-14-19-16-27-23(15-26)29-25(19)30(21)13-12-18-6-4-3-5-7-18/h8-11,14,16,18H,2-7,12-13,17H2,1H3,(H,28,31)
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n/an/a>1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50251942
PNG
(CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252036
PNG
(CHEMBL481169 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H29N5O2/c1-2-24(31)28-20-8-10-22(11-9-20)32-17-21-14-19-16-27-23(15-26)29-25(19)30(21)13-12-18-6-4-3-5-7-18/h8-11,14,16,18H,2-7,12-13,17H2,1H3,(H,28,31)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM25136
PNG
(2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 9n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair