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18 similar compounds to monomer 50113673

Compile data set for download or QSAR
Wt: 411.5
BDBM19610
Wt: 411.5
BDBM19611
Wt: 397.5
BDBM19545
Wt: 411.5
BDBM19547
Wt: 437.5
BDBM19549
Wt: 451.6
BDBM19550
Wt: 473.6
BDBM19568
Wt: 499.6
BDBM19571
Wt: 515.6
BDBM19574
Wt: 425.5
BDBM19585
Wt: 425.5
BDBM19586
Wt: 425.5
BDBM50113663
Wt: 413.5
BDBM50113674
Wt: 397.5
BDBM50128949
Wt: 411.5
BDBM50128951
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 19610,19611,19545,19547,19549,19550,19568,19571,19574,19585,19586,50113663,50113674,50128949,50128951   
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 L1


(Homo sapiens (Human))
BDBM19610
PNG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/s2
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1.60n/an/an/an/an/an/an/an/a



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 L1


(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=1/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-/s2
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4.60n/an/an/an/an/an/an/an/a



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))
BDBM19568
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1/C29H35N3O3/c1-35-26-15-13-25(14-16-26)30-17-18-31-29(34)27(19-21-7-3-2-4-8-21)32-28(33)24-12-11-22-9-5-6-10-23(22)20-24/h5-6,9-16,20-21,27,30H,2-4,7-8,17-19H2,1H3,(H,31,34)(H,32,33)/t27-/s2
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5n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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7.20n/an/an/an/an/an/an/an/a



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))
BDBM19571
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1/C31H37N3O3/c1-37-28-18-16-27(17-19-28)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)26-14-12-25(13-15-26)24-10-6-3-7-11-24/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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9.10n/an/an/an/an/an/an/an/a



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))
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=1/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-/s2
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9.70 -11.4n/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 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 L1


(Homo sapiens (Human))
BDBM19568
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1/C29H35N3O3/c1-35-26-15-13-25(14-16-26)30-17-18-31-29(34)27(19-21-7-3-2-4-8-21)32-28(33)24-12-11-22-9-5-6-10-23(22)20-24/h5-6,9-16,20-21,27,30H,2-4,7-8,17-19H2,1H3,(H,31,34)(H,32,33)/t27-/s2
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13n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19586
PNG
((2S)-N-{2-[(4-methoxy-2,6-dimethylphenyl)amino]eth...)
Show SMILES COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-23-18(4)14-21(31-6)15-19(23)5/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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14n/an/an/an/an/an/an/an/a



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))
BDBM19610
PNG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/s2
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15 -11.1n/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))
BDBM19574
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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17n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19585
PNG
((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...)
Show SMILES COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-21-14-18(4)23(31-6)19(5)15-21/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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20n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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26n/an/an/an/an/an/an/an/a



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))
BDBM19550
PNG
((2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C27H37N3O3/c1-20-7-6-10-22(19-20)26(31)30-25(16-11-21-8-4-3-5-9-21)27(32)29-18-17-28-23-12-14-24(33-2)15-13-23/h6-7,10,12-15,19,21,25,28H,3-5,8-9,11,16-18H2,1-2H3,(H,29,32)(H,30,31)/t25-/s2
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38 -10.5n/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 K


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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43n/an/an/an/an/an/an/an/a



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))
BDBM19547
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4,4-dimet...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-17-7-6-8-18(15-17)22(28)27-21(16-24(2,3)4)23(29)26-14-13-25-19-9-11-20(30-5)12-10-19/h6-12,15,21,25H,13-14,16H2,1-5H3,(H,26,29)(H,27,28)/t21-/s2
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46 -10.4n/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 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 K


(Homo sapiens (Human))
BDBM19568
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1/C29H35N3O3/c1-35-26-15-13-25(14-16-26)30-17-18-31-29(34)27(19-21-7-3-2-4-8-21)32-28(33)24-12-11-22-9-5-6-10-23(22)20-24/h5-6,9-16,20-21,27,30H,2-4,7-8,17-19H2,1H3,(H,31,34)(H,32,33)/t27-/s2
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55n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19610
PNG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/s2
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55n/an/an/an/an/an/an/an/a



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))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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62 -10.2n/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))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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68 -10.2n/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 L1


(Homo sapiens (Human))
BDBM19611
PNG
((2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22+/s2
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75n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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91n/an/an/an/an/an/an/an/a



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))
BDBM19585
PNG
((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...)
Show SMILES COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-21-14-18(4)23(31-6)19(5)15-21/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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107 -9.89n/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 K


(Homo sapiens (Human))
BDBM19585
PNG
((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...)
Show SMILES COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-21-14-18(4)23(31-6)19(5)15-21/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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125n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19586
PNG
((2S)-N-{2-[(4-methoxy-2,6-dimethylphenyl)amino]eth...)
Show SMILES COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-23-18(4)14-21(31-6)15-19(23)5/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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131n/an/an/an/an/an/an/an/a



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))
BDBM19586
PNG
((2S)-N-{2-[(4-methoxy-2,6-dimethylphenyl)amino]eth...)
Show SMILES COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1
Show InChI InChI=1/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-23-18(4)14-21(31-6)15-19(23)5/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/s2
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132 -9.76n/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 K


(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=1/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-/s2
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205n/an/an/an/an/an/an/an/a



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))
BDBM19611
PNG
((2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22+/s2
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212 -9.46n/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 L1


(Homo sapiens (Human))
BDBM19547
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4,4-dimet...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-17-7-6-8-18(15-17)22(28)27-21(16-24(2,3)4)23(29)26-14-13-25-19-9-11-20(30-5)12-10-19/h6-12,15,21,25H,13-14,16H2,1-5H3,(H,26,29)(H,27,28)/t21-/s2
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216n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19547
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4,4-dimet...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-17-7-6-8-18(15-17)22(28)27-21(16-24(2,3)4)23(29)26-14-13-25-19-9-11-20(30-5)12-10-19/h6-12,15,21,25H,13-14,16H2,1-5H3,(H,26,29)(H,27,28)/t21-/s2
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246n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19550
PNG
((2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C27H37N3O3/c1-20-7-6-10-22(19-20)26(31)30-25(16-11-21-8-4-3-5-9-21)27(32)29-18-17-28-23-12-14-24(33-2)15-13-23/h6-7,10,12-15,19,21,25,28H,3-5,8-9,11,16-18H2,1-2H3,(H,29,32)(H,30,31)/t25-/s2
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326n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19611
PNG
((2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22+/s2
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337n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19574
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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>3.00E+4n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19571
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1/C31H37N3O3/c1-37-28-18-16-27(17-19-28)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)26-14-12-25(13-15-26)24-10-6-3-7-11-24/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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>3.00E+4n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19571
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1/C31H37N3O3/c1-37-28-18-16-27(17-19-28)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)26-14-12-25(13-15-26)24-10-6-3-7-11-24/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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>3.70E+4n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM19574
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/s2
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>3.70E+4n/an/an/an/an/an/an/an/a



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 K


(Homo sapiens (Human))
BDBM19550
PNG
((2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C27H37N3O3/c1-20-7-6-10-22(19-20)26(31)30-25(16-11-21-8-4-3-5-9-21)27(32)29-18-17-28-23-12-14-24(33-2)15-13-23/h6-7,10,12-15,19,21,25,28H,3-5,8-9,11,16-18H2,1-2H3,(H,29,32)(H,30,31)/t25-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



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 L1


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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n/an/a<32n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a<30n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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n/an/a 372n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/s2
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n/an/a 70n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50113663
PNG
(CHEMBL77471 | N-{1-[2-(4-Methoxy-phenylamino)-ethy...)
Show SMILES CCCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C25H35N3O3/c1-5-6-19-7-9-20(10-8-19)24(29)28-23(17-18(2)3)25(30)27-16-15-26-21-11-13-22(31-4)14-12-21/h7-14,18,23,26H,5-6,15-17H2,1-4H3,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S in a fluorescence assay


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128951
PNG
(4-Ethyl-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OC)cc1
Show InChI InChI=1S/C24H33N3O3/c1-5-18-6-8-19(9-7-18)23(28)27-22(16-17(2)3)24(29)26-15-14-25-20-10-12-21(30-4)13-11-20/h6-13,17,22,25H,5,14-16H2,1-4H3,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50113674
PNG
(4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant rabbit Cathepsin K in a fluorescence assay


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair