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Compile Data Set for Download or QSAR

Found 2594 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L'   
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 L


(Capra hircus (Goat))
BDBM192658
PNG
(N’-(2-nitrophenylmethylene)benzohydrazide (1i...)
Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O3/c18-14(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-13(12)17(19)20/h1-10H,(H,16,18)/b15-10+
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4.20 -49.7n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192660
PNG
(N’-(4-nitrophenylmethylene)benzohydrazide (1k...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O3/c18-14(12-4-2-1-3-5-12)16-15-10-11-6-8-13(9-7-11)17(19)20/h1-10H,(H,16,18)/b15-10+
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5.53 -49.0n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192659
PNG
(N’-(3-nitrophenylmethylene)benzohydrazide (1j...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11N3O3/c18-14(12-6-2-1-3-7-12)16-15-10-11-5-4-8-13(9-11)17(19)20/h1-10H,(H,16,18)/b15-10+
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5.86 -48.9n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192654
PNG
(N’-(4-chlorophenylmethylene)benzohydrazide (1...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+
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6.34 -48.7n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192652
PNG
(N’-(2-chlorophenylmethylene)benzohydrazide (1...)
Show SMILES Clc1ccccc1\C=N\NC(=O)c1ccccc1
Show InChI InChI=1S/C14H11ClN2O/c15-13-9-5-4-8-12(13)10-16-17-14(18)11-6-2-1-3-7-11/h1-10H,(H,17,18)/b16-10+
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7.30 -48.3n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192655
PNG
(N’-(2-methoxyphenylmethylene)benzohydrazide (...)
Show SMILES COc1ccccc1\C=N\NC(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-10-6-5-9-13(14)11-16-17-15(18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b16-11+
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8.14 -48.0n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192653
PNG
(N’-(3-chlorophenylmethylene)benzohydrazide (1...)
Show SMILES Clc1cccc(\C=N\NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H11ClN2O/c15-13-8-4-5-11(9-13)10-16-17-14(18)12-6-2-1-3-7-12/h1-10H,(H,17,18)/b16-10+
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8.63 -47.9n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192650
PNG
(N’-(phenylmethylene)benzohydrazide (1a))
Show SMILES O=C(N\N=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b15-11+
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13 -46.8n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192657
PNG
(N’-(4-methoxyphenylmethylene)benzohydrazide (...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-9-7-12(8-10-14)11-16-17-15(18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11+
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19.8 -45.7n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192656
PNG
(N’-(3-methoxyphenylmethylene)benzohydrazide (...)
Show SMILES COc1cccc(\C=N\NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H14N2O2/c1-19-14-9-5-6-12(10-14)11-16-17-15(18)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)/b16-11+
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28.6 -44.8n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192668
PNG
(2-phenyl-5-(4-nitrophenyl)-1,3,4-oxadiazole (2k))
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9N3O3/c18-17(19)12-8-6-11(7-9-12)14-16-15-13(20-14)10-4-2-1-3-5-10/h1-9H
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47.3 -43.5n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192667
PNG
(2-phenyl-5-(2-nitrophenyl)-1,3,4-oxadiazole (2i))
Show SMILES [O-][N+](=O)c1ccccc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9N3O3/c18-17(19)12-9-5-4-8-11(12)14-16-15-13(20-14)10-6-2-1-3-7-10/h1-9H
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57 -43.0n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM63525
PNG
(2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole | 2-ph...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9N3O3/c18-17(19)12-8-4-7-11(9-12)14-16-15-13(20-14)10-5-2-1-3-6-10/h1-9H
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63.4 -42.7n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM48184
PNG
(2-(3-chlorophenyl)-5-phenyl-1,3,4-oxadiazole | 2-p...)
Show SMILES Clc1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H
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70.2 -42.5n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192662
PNG
(2-phenyl-5-(2-chlorophenyl)-1,3,4-oxadiazole (2c))
Show SMILES Clc1ccccc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
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92.1 -41.8n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192651
PNG
(N’-(4-methylphenylmethylene)benzohydrazide (1...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O/c1-12-7-9-13(10-8-12)11-16-17-15(18)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/b16-11+
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95.9 -41.7n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192663
PNG
(2-phenyl-5-(4-chlorophenyl)-1,3,4-oxadiazole (2e))
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
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99.3 -41.6n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192661
PNG
(2,5-diphenyl-1,3,4-oxadiazole (2a))
Show SMILES c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
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124 -41.0n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192665
PNG
(2-phenyl-5-(3-methoxyphenyl)-1,3,4-oxadiazole (2g))
Show SMILES COc1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-17-16-14(19-15)11-6-3-2-4-7-11/h2-10H,1H3
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144 -40.6n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192664
PNG
(2-phenyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole (2f))
Show SMILES COc1ccccc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-18-13-10-6-5-9-12(13)15-17-16-14(19-15)11-7-3-2-4-8-11/h2-10H,1H3
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216 -39.6n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM192666
PNG
(2-phenyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole (2h))
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10H,1H3
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337 -38.4n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L


(Capra hircus (Goat))
BDBM49356
PNG
(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole | 2-P...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10H,1H3
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1.36E+3 -34.8n/an/an/an/an/a5.037



Kurukshetra University



Assay Description
The proteolytic activity was estimated at pH 5.0, 37 C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incuba...


Bioorg Chem 67: 64-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.003
BindingDB Entry DOI: 10.7270/Q20G3HZB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19770
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1
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0.0400 -58.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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PubMed
0.0680 -57.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19775
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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0.630 -52.0n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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2.20 -48.9n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19781
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
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3.90 -47.5n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19771
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20+,25+/m1/s1
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4.20 -47.3n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19780
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21+/m1/s1
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4.5 -47.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19779
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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7.90 -45.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19777
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
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10 -45.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93184
PNG
(Cathepsin Inhibitor, Column 6 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C35H32N4O4S/c1-23(30(40)22-37-33(41)20-25-12-9-14-26(18-25)28-15-7-8-17-36-28)38-34(42)29(19-24-10-3-2-4-11-24)39-35(43)32-21-27-13-5-6-16-31(27)44-32/h2-18,21,23,29H,19-20,22H2,1H3,(H,37,41)(H,38,42)(H,39,43)/t23?,29-/m0/s1
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18n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21006
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-(meth...)
Show SMILES CSC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H49N7O4S/c1-53-28-36(46-37(49)27-31-19-21-33(22-20-31)32-16-9-4-10-17-32)40(52)47-34(18-11-24-45-41(42)43)39(51)48-35(26-30-14-7-3-8-15-30)38(50)44-25-23-29-12-5-2-6-13-29/h2-10,12-17,19-22,34-36H,11,18,23-28H2,1H3,(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,42,43,45)/t34-,35+,36+/m1/s1
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19 -44.1n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20998
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-pheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H47N7O4S/c41-40(42)44-23-10-17-33(38(50)47-34(25-29-13-6-2-7-14-29)37(49)43-24-22-28-11-4-1-5-12-28)46-39(51)35(27-52)45-36(48)26-30-18-20-32(21-19-30)31-15-8-3-9-16-31/h1-9,11-16,18-21,33-35,52H,10,17,22-27H2,(H,43,49)(H,45,48)(H,46,51)(H,47,50)(H4,41,42,44)/t33-,34+,35+/m1/s1
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21 -43.8n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20997
PNG
((2S)-N-[(1R)-4-[(diaminomethylidene)amino]-1-{[(1S...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)-c1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C57H64N8O6/c58-57(59)62-35-12-20-50(56(71)65-51(37-41-25-31-48(66)32-26-41)54(69)61-36-33-40-13-4-1-5-14-40)64-55(70)49(63-53(68)39-43-23-29-47(30-24-43)45-17-8-3-9-18-45)19-10-11-34-60-52(67)38-42-21-27-46(28-22-42)44-15-6-2-7-16-44/h1-9,13-18,21-32,49-51,66H,10-12,19-20,33-39H2,(H,60,67)(H,61,69)(H,63,68)(H,64,70)(H,65,71)(H4,58,59,62)/t49-,50+,51-/m0/s1
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23 -43.6n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20999
PNG
((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C47H53N7O4S/c48-47(49)51-28-13-22-40(45(57)54-41(30-35-16-7-2-8-17-35)44(56)50-29-27-34-14-5-1-6-15-34)53-46(58)42(33-59-32-37-18-9-3-10-19-37)52-43(55)31-36-23-25-39(26-24-36)38-20-11-4-12-21-38/h1-12,14-21,23-26,40-42H,13,22,27-33H2,(H,50,56)(H,52,55)(H,53,58)(H,54,57)(H4,48,49,51)/t40-,41+,42+/m1/s1
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24 -43.5n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93178
PNG
(Cathepsin Inhibitor, Column 4 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C36H33N5O4/c1-24(33(42)23-39-34(43)21-26-11-7-12-27(19-26)30-14-5-6-17-37-30)40-36(45)32(20-25-9-3-2-4-10-25)41-35(44)29-15-16-31-28(22-29)13-8-18-38-31/h2-19,22,24,32H,20-21,23H2,1H3,(H,39,43)(H,40,45)(H,41,44)/t24?,32-/m0/s1
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36n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19773
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20+,25-/m1/s1
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45 -41.5n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20993
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H47N7O5S/c41-40(42)44-22-7-12-33(46-39(52)35(26-53)45-36(49)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30)38(51)47-34(24-28-15-19-32(48)20-16-28)37(50)43-23-21-27-8-3-1-4-9-27/h1-6,8-11,13-20,33-35,48,53H,7,12,21-26H2,(H,43,50)(H,45,49)(H,46,52)(H,47,51)(H4,41,42,44)/t33-,34+,35+/m1/s1
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45 -41.9n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19772
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25+/m0/s1
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PubMed
52 -41.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93175
PNG
(Cathepsin Inhibitor, Column 3 Row 2)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C35H36N4O6/c1-23(30(40)22-37-33(41)20-25-12-9-13-26(18-25)28-14-7-8-17-36-28)38-35(43)29(19-24-10-5-4-6-11-24)39-34(42)27-15-16-31(44-2)32(21-27)45-3/h4-18,21,23,29H,19-20,22H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t23?,29-/m0/s1
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53n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93183
PNG
(Cathepsin Inhibitor, Column 6 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H34N4O4S/c1-20(2)15-26(36-32(40)29-18-24-10-4-5-13-28(24)41-29)31(39)35-21(3)27(37)19-34-30(38)17-22-9-8-11-23(16-22)25-12-6-7-14-33-25/h4-14,16,18,20-21,26H,15,17,19H2,1-3H3,(H,34,38)(H,35,39)(H,36,40)/t21?,26-/m0/s1
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90n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93181
PNG
(Cathepsin Inhibitor, Column 5 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C36H33N5O4/c1-24(33(42)23-38-34(43)22-26-12-9-14-28(20-26)29-15-7-8-19-37-29)39-36(45)32(21-25-10-3-2-4-11-25)41-35(44)31-18-17-27-13-5-6-16-30(27)40-31/h2-20,24,32H,21-23H2,1H3,(H,38,43)(H,39,45)(H,41,44)/t24?,32-/m0/s1
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110n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20996
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES COc1ccc(CSC[C@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C48H55N7O6S/c1-61-40-24-18-36(19-25-40)31-62-32-43(53-44(57)30-35-14-20-38(21-15-35)37-11-6-3-7-12-37)47(60)54-41(13-8-27-52-48(49)50)46(59)55-42(29-34-16-22-39(56)23-17-34)45(58)51-28-26-33-9-4-2-5-10-33/h2-7,9-12,14-25,41-43,56H,8,13,26-32H2,1H3,(H,51,58)(H,53,57)(H,54,60)(H,55,59)(H4,49,50,52)/t41-,42+,43+/m1/s1
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112 -39.7n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93172
PNG
(Cathepsin Inhibitor, Column 2 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C34H31F3N4O4/c1-22(30(42)21-39-31(43)20-24-10-7-11-26(18-24)28-12-5-6-17-38-28)40-33(45)29(19-23-8-3-2-4-9-23)41-32(44)25-13-15-27(16-14-25)34(35,36)37/h2-18,22,29H,19-21H2,1H3,(H,39,43)(H,40,45)(H,41,44)/t22?,29-/m0/s1
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120n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93180
PNG
(Cathepsin Inhibitor, Column 5 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H35N5O4/c1-21(2)17-29(38-32(41)28-15-14-24-10-4-5-13-27(24)37-28)33(42)36-22(3)30(39)20-35-31(40)19-23-9-8-11-25(18-23)26-12-6-7-16-34-26/h4-16,18,21-22,29H,17,19-20H2,1-3H3,(H,35,40)(H,36,42)(H,38,41)/t22?,29-/m0/s1
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130n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93177
PNG
(Cathepsin Inhibitor, Column 4 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H35N5O4/c1-21(2)16-29(38-32(41)26-12-13-28-25(19-26)10-7-15-35-28)33(42)37-22(3)30(39)20-36-31(40)18-23-8-6-9-24(17-23)27-11-4-5-14-34-27/h4-15,17,19,21-22,29H,16,18,20H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t22?,29-/m0/s1
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130n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM93174
PNG
(Cathepsin Inhibitor, Column 3 Row 1)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H38N4O6/c1-20(2)15-26(36-31(39)24-12-13-28(41-4)29(18-24)42-5)32(40)35-21(3)27(37)19-34-30(38)17-22-9-8-10-23(16-22)25-11-6-7-14-33-25/h6-14,16,18,20-21,26H,15,17,19H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)/t21?,26-/m0/s1
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150n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19776
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21+/m1/s1
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150 -38.6n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20995
PNG
((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C47H53N7O5S/c48-47(49)51-27-10-17-40(45(58)54-41(29-34-20-24-39(55)25-21-34)44(57)50-28-26-33-11-4-1-5-12-33)53-46(59)42(32-60-31-36-13-6-2-7-14-36)52-43(56)30-35-18-22-38(23-19-35)37-15-8-3-9-16-37/h1-9,11-16,18-25,40-42,55H,10,17,26-32H2,(H,50,57)(H,52,56)(H,53,59)(H,54,58)(H4,48,49,51)/t40-,41+,42+/m1/s1
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155 -38.9n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
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