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PubMed code 16480867

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM19765
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1
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n/an/a<1n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19764
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1
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n/an/a<1n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19762
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1
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n/an/a<1n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19759
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(benzyloxy)-1-cyanoethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C24H29N3O4/c1-18(2)13-22(27-24(29)31-16-20-11-7-4-8-12-20)23(28)26-21(14-25)17-30-15-19-9-5-3-6-10-19/h3-12,18,21-22H,13,15-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,22+/m1/s1
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n/an/a 9n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19761
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
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n/an/a 9n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19766
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1[nH]cnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-15(2)9-20(27-21(28)10-19-16(3)24-14-25-19)22(29)26-18(11-23)13-30-12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,29)(H,27,28)/t18-,20+/m1/s1
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n/an/a 24n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19764
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19762
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1
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n/an/a<30n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19768
PNG
(Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
Show InChI InChI=1S/C16H21N3O3/c1-12(2)10-14(15(20)18-9-8-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19763
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-{2-[(4-...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Nc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-18(2)14-23(30-25(33)26(3,4)31-21-12-10-20(27)11-13-21)24(32)29-22(15-28)17-34-16-19-8-6-5-7-9-19/h5-13,18,22-23,31H,14,16-17H2,1-4H3,(H,29,32)(H,30,33)/t22-,23+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19757
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-[4-(trifluoromet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C24H26F3N3O3/c1-16(2)12-21(30-23(32)33-15-18-6-4-3-5-7-18)22(31)29-20(14-28)13-17-8-10-19(11-9-17)24(25,26)27/h3-11,16,20-21H,12-13,15H2,1-2H3,(H,29,31)(H,30,32)/t20-,21-/m0/s1
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n/an/a 43n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19765
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19752
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)13-22(27-24(29)30-16-20-7-5-4-6-8-20)23(28)26-21(15-25)14-19-11-9-18(3)10-12-19/h4-12,17,21-22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 48n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19762
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19754
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C#N)cc1 |r|
Show InChI InChI=1S/C24H29N3O4/c1-17(2)13-22(27-24(29)31-16-19-7-5-4-6-8-19)23(28)26-20(15-25)14-18-9-11-21(30-3)12-10-18/h4-12,17,20,22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t20-,22-/m0/s1
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n/an/a 63n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19765
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1
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n/an/a 83n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19760
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CC1)c1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C29H38N4O3/c1-22(2)17-27(29(35)31-26(18-30)21-36-20-23-9-5-3-6-10-23)32-28(34)19-33-15-13-25(14-16-33)24-11-7-4-8-12-24/h3-12,22,25-27H,13-17,19-21H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
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n/an/a 83n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19766
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1[nH]cnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-15(2)9-20(27-21(28)10-19-16(3)24-14-25-19)22(29)26-18(11-23)13-30-12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,29)(H,27,28)/t18-,20+/m1/s1
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Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19753
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(3-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(C)c1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-22(27-24(29)30-16-19-9-5-4-6-10-19)23(28)26-21(15-25)14-20-11-7-8-18(3)13-20/h4-11,13,17,21-22H,12,14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 120n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19766
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1[nH]cnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-15(2)9-20(27-21(28)10-19-16(3)24-14-25-19)22(29)26-18(11-23)13-30-12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,29)(H,27,28)/t18-,20+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19760
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CC1)c1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C29H38N4O3/c1-22(2)17-27(29(35)31-26(18-30)21-36-20-23-9-5-3-6-10-23)32-28(34)19-33-15-13-25(14-16-33)24-11-7-4-8-12-24/h3-12,22,25-27H,13-17,19-21H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19764
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1
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n/an/a 154n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19761
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
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Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19767
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-16(2)11-20(26-21(28)13-27-10-9-24-17(27)3)22(29)25-19(12-23)15-30-14-18-7-5-4-6-8-18/h4-10,16,19-20H,11,13-15H2,1-3H3,(H,25,29)(H,26,28)/t19-,20+/m1/s1
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n/an/a 190n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19763
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-{2-[(4-...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Nc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-18(2)14-23(30-25(33)26(3,4)31-21-12-10-20(27)11-13-21)24(32)29-22(15-28)17-34-16-19-8-6-5-7-9-19/h5-13,18,22-23,31H,14,16-17H2,1-4H3,(H,29,32)(H,30,33)/t22-,23+/m1/s1
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n/an/a 190n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19767
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-16(2)11-20(26-21(28)13-27-10-9-24-17(27)3)22(29)25-19(12-23)15-30-14-18-7-5-4-6-8-18/h4-10,16,19-20H,11,13-15H2,1-3H3,(H,25,29)(H,26,28)/t19-,20+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19758
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(tert-butoxy)-1-cyanoeth...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COC(C)(C)C)C#N |r|
Show InChI InChI=1S/C21H31N3O4/c1-15(2)11-18(19(25)23-17(12-22)14-28-21(3,4)5)24-20(26)27-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11,13-14H2,1-5H3,(H,23,25)(H,24,26)/t17-,18+/m1/s1
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n/an/a 240n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19761
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
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n/an/a 330n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19755
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(tert-butoxy)phenyl]-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C#N |r|
Show InChI InChI=1S/C27H35N3O4/c1-19(2)15-24(30-26(32)33-18-21-9-7-6-8-10-21)25(31)29-22(17-28)16-20-11-13-23(14-12-20)34-27(3,4)5/h6-14,19,22,24H,15-16,18H2,1-5H3,(H,29,31)(H,30,32)/t22-,24-/m0/s1
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n/an/a 398n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19763
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-{2-[(4-...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Nc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-18(2)14-23(30-25(33)26(3,4)31-21-12-10-20(27)11-13-21)24(32)29-22(15-28)17-34-16-19-8-6-5-7-9-19/h5-13,18,22-23,31H,14,16-17H2,1-4H3,(H,29,32)(H,30,33)/t22-,23+/m1/s1
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n/an/a 430n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19767
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C22H29N5O3/c1-16(2)11-20(26-21(28)13-27-10-9-24-17(27)3)22(29)25-19(12-23)15-30-14-18-7-5-4-6-8-18/h4-10,16,19-20H,11,13-15H2,1-3H3,(H,25,29)(H,26,28)/t19-,20+/m1/s1
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Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19754
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C#N)cc1 |r|
Show InChI InChI=1S/C24H29N3O4/c1-17(2)13-22(27-24(29)31-16-19-7-5-4-6-8-19)23(28)26-20(15-25)14-18-9-11-21(30-3)12-10-18/h4-12,17,20,22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t20-,22-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19758
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(tert-butoxy)-1-cyanoeth...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COC(C)(C)C)C#N |r|
Show InChI InChI=1S/C21H31N3O4/c1-15(2)11-18(19(25)23-17(12-22)14-28-21(3,4)5)24-20(26)27-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11,13-14H2,1-5H3,(H,23,25)(H,24,26)/t17-,18+/m1/s1
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Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19759
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(benzyloxy)-1-cyanoethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C24H29N3O4/c1-18(2)13-22(27-24(29)31-16-20-11-7-4-8-12-20)23(28)26-21(14-25)17-30-15-19-9-5-3-6-10-19/h3-12,18,21-22H,13,15-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,22+/m1/s1
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n/an/a 969n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM19756
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(benzyloxy)phenyl]-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C30H33N3O4/c1-22(2)17-28(33-30(35)37-21-25-11-7-4-8-12-25)29(34)32-26(19-31)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,22,26,28H,17-18,20-21H2,1-2H3,(H,32,34)(H,33,35)/t26-,28-/m0/s1
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n/an/a>1.00E+3n/an/an/an/a7.022



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19754
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C#N)cc1 |r|
Show InChI InChI=1S/C24H29N3O4/c1-17(2)13-22(27-24(29)31-16-19-7-5-4-6-8-19)23(28)26-20(15-25)14-18-9-11-21(30-3)12-10-18/h4-12,17,20,22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t20-,22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19760
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CC1)c1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C29H38N4O3/c1-22(2)17-27(29(35)31-26(18-30)21-36-20-23-9-5-3-6-10-23)32-28(34)19-33-15-13-25(14-16-33)24-11-7-4-8-12-24/h3-12,22,25-27H,13-17,19-21H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
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n/an/a 1.20E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19755
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(tert-butoxy)phenyl]-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C#N |r|
Show InChI InChI=1S/C27H35N3O4/c1-19(2)15-24(30-26(32)33-18-21-9-7-6-8-10-21)25(31)29-22(17-28)16-20-11-13-23(14-12-20)34-27(3,4)5/h6-14,19,22,24H,15-16,18H2,1-5H3,(H,29,31)(H,30,32)/t22-,24-/m0/s1
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n/an/a 1.40E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19759
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(benzyloxy)-1-cyanoethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
Show InChI InChI=1S/C24H29N3O4/c1-18(2)13-22(27-24(29)31-16-20-11-7-4-8-12-20)23(28)26-21(14-25)17-30-15-19-9-5-3-6-10-19/h3-12,18,21-22H,13,15-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,22+/m1/s1
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n/an/a 1.70E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19753
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(3-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(C)c1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-22(27-24(29)30-16-19-9-5-4-6-10-19)23(28)26-21(15-25)14-20-11-7-8-18(3)13-20/h4-11,13,17,21-22H,12,14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19758
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(tert-butoxy)-1-cyanoeth...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COC(C)(C)C)C#N |r|
Show InChI InChI=1S/C21H31N3O4/c1-15(2)11-18(19(25)23-17(12-22)14-28-21(3,4)5)24-20(26)27-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11,13-14H2,1-5H3,(H,23,25)(H,24,26)/t17-,18+/m1/s1
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n/an/a 2.80E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19753
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(3-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(C)c1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-22(27-24(29)30-16-19-9-5-4-6-10-19)23(28)26-21(15-25)14-20-11-7-8-18(3)13-20/h4-11,13,17,21-22H,12,14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 7.70E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19757
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-[4-(trifluoromet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C24H26F3N3O3/c1-16(2)12-21(30-23(32)33-15-18-6-4-3-5-7-18)22(31)29-20(14-28)13-17-8-10-19(11-9-17)24(25,26)27/h3-11,16,20-21H,12-13,15H2,1-2H3,(H,29,31)(H,30,32)/t20-,21-/m0/s1
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n/an/a 8.00E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19752
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)13-22(27-24(29)30-16-20-7-5-4-6-8-20)23(28)26-21(15-25)14-19-11-9-18(3)10-12-19/h4-12,17,21-22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 9.90E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19756
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(benzyloxy)phenyl]-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C30H33N3O4/c1-22(2)17-28(33-30(35)37-21-25-11-7-4-8-12-25)29(34)32-26(19-31)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,22,26,28H,17-18,20-21H2,1-2H3,(H,32,34)(H,33,35)/t26-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM19756
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(benzyloxy)phenyl]-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C30H33N3O4/c1-22(2)17-28(33-30(35)37-21-25-11-7-4-8-12-25)29(34)32-26(19-31)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,22,26,28H,17-18,20-21H2,1-2H3,(H,32,34)(H,33,35)/t26-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a5.522



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19757
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-[4-(trifluoromet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C#N |r|
Show InChI InChI=1S/C24H26F3N3O3/c1-16(2)12-21(30-23(32)33-15-18-6-4-3-5-7-18)22(31)29-20(14-28)13-17-8-10-19(11-9-17)24(25,26)27/h3-11,16,20-21H,12-13,15H2,1-2H3,(H,29,31)(H,30,32)/t20-,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19755
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(tert-butoxy)phenyl]-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C#N |r|
Show InChI InChI=1S/C27H35N3O4/c1-19(2)15-24(30-26(32)33-18-21-9-7-6-8-10-21)25(31)29-22(17-28)16-20-11-13-23(14-12-20)34-27(3,4)5/h6-14,19,22,24H,15-16,18H2,1-5H3,(H,29,31)(H,30,32)/t22-,24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM19752
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)C#N |r|
Show InChI InChI=1S/C24H29N3O3/c1-17(2)13-22(27-24(29)30-16-20-7-5-4-6-8-20)23(28)26-21(15-25)14-19-11-9-18(3)10-12-19/h4-12,17,21-22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



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...

Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%