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Compile Data Set for Download or QSAR

Found 2322 hits Enz. Inhib. hit(s) with Target = 'Cathepsin B'   
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 B


(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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PubMed
113 -41.2n/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 B


(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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120 -41.1n/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 B


(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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140 -40.7n/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 B


(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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180 -40.0n/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 B


(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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190 -39.9n/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 B


(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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210 -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 B


(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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260 -39.1n/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 B


(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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290 -38.8n/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 B


(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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440 -37.7n/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 B


(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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664 -36.7n/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 B


(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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790 -36.2n/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 B


(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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830 -36.1n/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 B


(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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1.00E+3 -35.6n/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 B


(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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PubMed
1.28E+3 -35.0n/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 B


(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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PubMed
1.62E+3 -34.4n/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 B


(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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PubMed
1.92E+3 -33.9n/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 B


(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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PubMed
2.69E+3 -33.1n/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 B


(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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4.44E+3 -31.8n/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 B


(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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6.85E+3 -30.7n/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 B


(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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8.72E+3 -30.0n/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 B


(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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PubMed
9.22E+3 -29.9n/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 B


(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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PubMed
1.13E+4 -29.4n/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 (B and K)


(Homo sapiens)
BDBM93204
PNG
(Mercaptomethyl ketone Inhibitor, 53)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O
Show InChI InChI=1S/C26H33N3O7S/c27-13-5-4-8-21(23(31)16-37-17-24(32)33)28-25(34)22(14-18-9-11-20(30)12-10-18)29-26(35)36-15-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,30H,4-5,8,13-17,27H2,(H,28,34)(H,29,35)(H,32,33)/t21-,22-/m0/s1
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2n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93203
PNG
(Mercaptomethyl ketone Inhibitor, 52)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O
Show InChI InChI=1S/C26H33N3O6S/c27-14-8-7-13-21(23(30)17-36-18-24(31)32)28-25(33)22(15-19-9-3-1-4-10-19)29-26(34)35-16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18,27H2,(H,28,33)(H,29,34)(H,31,32)/t21-,22-/m0/s1
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4.70n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93196
PNG
(Mercaptomethyl ketone Inhibitor, 45)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C31H40N6O6S/c32-30(33)34-16-7-12-23(27(39)20-44-17-15-26(38)24-13-14-28(40)35-24)36-29(41)25(18-21-8-3-1-4-9-21)37-31(42)43-19-22-10-5-2-6-11-22/h1-6,8-11,23-25H,7,12-20H2,(H,35,40)(H,36,41)(H,37,42)(H4,32,33,34)/t23-,24?,25-/m0/s1
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13n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93202
PNG
(Mercaptomethyl ketone Inhibitor, 51)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C28H42N4O6S/c1-19(2)16-23(32-28(37)38-17-20-8-4-3-5-9-20)27(36)31-21(10-6-7-14-29)25(34)18-39-15-13-24(33)22-11-12-26(35)30-22/h3-5,8-9,19,21-23H,6-7,10-18,29H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)/t21-,22?,23-/m0/s1
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50n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93198
PNG
(Mercaptomethyl ketone Inhibitor, 47)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O5S/c31-21-14-23(33)27(15-22(21)32)44-17-26(40)24(7-4-12-36-29(34)35)37-28(41)25(13-18-8-10-20(39)11-9-18)38-30(42)43-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,24-25,39H,4,7,12-13,16-17H2,(H,37,41)(H,38,42)(H4,34,35,36)/t24-,25-/m0/s1
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50n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93197
PNG
(Mercaptomethyl ketone Inhibitor, 46)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C31H40N6O7S/c32-30(33)34-15-4-7-23(27(40)19-45-16-14-26(39)24-12-13-28(41)35-24)36-29(42)25(17-20-8-10-22(38)11-9-20)37-31(43)44-18-21-5-2-1-3-6-21/h1-3,5-6,8-11,23-25,38H,4,7,12-19H2,(H,35,41)(H,36,42)(H,37,43)(H4,32,33,34)/t23-,24?,25-/m0/s1
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110n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93201
PNG
(Mercaptomethyl ketone Inhibitor, 50)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C28H39N3O4S/c1-21(2)17-25(31-28(34)35-18-22-11-5-3-6-12-22)27(33)30-24(15-9-10-16-29)26(32)20-36-19-23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,9-10,15-20,29H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1
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111n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93200
PNG
(Mercaptomethyl ketone Inhibitor, 49)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C30H43N3O4S/c1-23(2)20-27(33-30(36)37-21-25-14-7-4-8-15-25)29(35)32-26(17-9-10-18-31)28(34)22-38-19-11-16-24-12-5-3-6-13-24/h3-8,12-15,23,26-27H,9-11,16-22,31H2,1-2H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
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130n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93199
PNG
(Mercaptomethyl ketone Inhibitor, 48)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C30H43N5O4S/c1-22(2)19-26(35-30(38)39-20-24-13-7-4-8-14-24)28(37)34-25(16-9-17-33-29(31)32)27(36)21-40-18-10-15-23-11-5-3-6-12-23/h3-8,11-14,22,25-26H,9-10,15-21H2,1-2H3,(H,34,37)(H,35,38)(H4,31,32,33)/t25-,26-/m0/s1
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140n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19810
PNG
(CHEMBL118449 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H44N4O7/c1-22(2)17-27(35-32(41)43-20-24-11-7-5-8-12-24)30(39)34-26-15-16-37(19-29(26)38)31(40)28(18-23(3)4)36-33(42)44-21-25-13-9-6-10-14-25/h5-14,22-23,26-28H,15-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26?,27-,28-/m0/s1
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440 -35.9n/an/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93182
PNG
(Cathepsin Inhibitor, Column 5 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H33N5O4/c1-20(2)30(37-31(40)27-15-14-23-10-4-5-13-26(23)36-27)32(41)35-21(3)28(38)19-34-29(39)18-22-9-8-11-24(17-22)25-12-6-7-16-33-25/h4-17,20-21,30H,18-19H2,1-3H3,(H,34,39)(H,35,41)(H,37,40)/t21?,30-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93185
PNG
(Cathepsin Inhibitor, Column 6 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H32N4O4S/c1-19(2)29(35-30(38)27-17-23-10-4-5-13-26(23)40-27)31(39)34-20(3)25(36)18-33-28(37)16-21-9-8-11-22(15-21)24-12-6-7-14-32-24/h4-15,17,19-20,29H,16,18H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t20?,29-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93176
PNG
(Cathepsin Inhibitor, Column 3 Row 3)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H36N4O6/c1-19(2)29(35-30(38)23-12-13-26(40-4)27(17-23)41-5)31(39)34-20(3)25(36)18-33-28(37)16-21-9-8-10-22(15-21)24-11-6-7-14-32-24/h6-15,17,19-20,29H,16,18H2,1-5H3,(H,33,37)(H,34,39)(H,35,38)/t20?,29-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93173
PNG
(Cathepsin Inhibitor, Column 2 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C30H31F3N4O4/c1-18(2)27(37-28(40)21-10-12-23(13-11-21)30(31,32)33)29(41)36-19(3)25(38)17-35-26(39)16-20-7-6-8-22(15-20)24-9-4-5-14-34-24/h4-15,18-19,27H,16-17H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t19?,27-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
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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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93171
PNG
(Cathepsin Inhibitor, Column 2 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H33F3N4O4/c1-19(2)15-26(38-29(41)22-10-12-24(13-11-22)31(32,33)34)30(42)37-20(3)27(39)18-36-28(40)17-21-7-6-8-23(16-21)25-9-4-5-14-35-25/h4-14,16,19-20,26H,15,17-18H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t20?,26-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93170
PNG
(Cathepsin Inhibitor, Column 1 Row 3)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C24H30N4O4/c1-15(2)23(28-17(4)29)24(32)27-16(3)21(30)14-26-22(31)13-18-8-7-9-19(12-18)20-10-5-6-11-25-20/h5-12,15-16,23H,13-14H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)/t16?,23-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93169
PNG
(Cathepsin Inhibitor, Column 1 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C28H30N4O4/c1-19(31-28(36)25(32-20(2)33)16-21-9-4-3-5-10-21)26(34)18-30-27(35)17-22-11-8-12-23(15-22)24-13-6-7-14-29-24/h3-15,19,25H,16-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,33)/t19?,25-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM93168
PNG
(Cathepsin Inhibitor, Column 1 Row 1)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C25H32N4O4/c1-16(2)12-22(29-18(4)30)25(33)28-17(3)23(31)15-27-24(32)14-19-8-7-9-20(13-19)21-10-5-6-11-26-21/h5-11,13,16-17,22H,12,14-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,30)/t17?,22-/m0/s1
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>1.00E+3n/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 (B and K)


(Homo sapiens)
BDBM19797
PNG
(CHEMBL301683 | acyclic alkoxymethyl ketone inhibit...)
Show SMILES COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1
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Article
PubMed
>1.00E+3>-33.9n/an/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
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