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Compile Data Set for Download or QSAR

Found 44 hits of ph data 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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PubMed
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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PubMed
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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PubMed
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


(Rattus norvegicus)
BDBM36329
PNG
(Z-LG-AOMK 9c)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C26H32N2O6/c1-17(2)13-22(28-26(32)34-15-20-11-6-5-7-12-20)24(30)27-14-21(29)16-33-25(31)23-18(3)9-8-10-19(23)4/h5-12,17,22H,13-16H2,1-4H3,(H,27,30)(H,28,32)/t22-/m0/s1
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n/an/a 920n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36328
PNG
(Z-FR-AMOK 9b)
Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H39N5O6/c1-22-11-9-12-23(2)29(22)31(41)43-21-28(39)26(17-10-18-36-32(34)35)37-30(40)27(19-24-13-5-3-6-14-24)38-33(42)44-20-25-15-7-4-8-16-25/h3-9,11-16,26-27H,10,17-21H2,1-2H3,(H,37,40)(H,38,42)(H4,34,35,36)/t26-,27-/m0/s1
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n/an/a 15n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
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n/an/a 7.30n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36327
PNG
(Z-FG-AOMK 9a)
Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H30N2O6/c1-20-10-9-11-21(2)26(20)28(34)36-19-24(32)17-30-27(33)25(16-22-12-5-3-6-13-22)31-29(35)37-18-23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,30,33)(H,31,35)
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n/an/a 120n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
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n/an/a 1.20E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
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n/an/a 220n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM16511
PNG
((2S)-1-[(2S)-2-{[(2S,3S)-3-{[(1S)-1-({[(2-methoxy-...)
Show SMILES COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1
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n/an/an/an/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16510
PNG
((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O
Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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n/an/a 40n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16509
PNG
((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...)
Show SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1
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n/an/a 38n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16508
PNG
((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12-,13-/m0/s1
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n/an/a 120n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16506
PNG
((2S)-1-(2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C13H18N2O7/c1-2-21-13(20)10-9(22-10)11(17)14-6-8(16)15-5-3-4-7(15)12(18)19/h7,9-10H,2-6H2,1H3,(H,14,17)(H,18,19)/t7-,9-,10-/m0/s1
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n/an/a 1.53E+4n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16505
PNG
(BzlNH-tES-Ile-Pro-OBzl | CA inhibitor 8 | CA077 | ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1
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n/an/a 4.60E+4n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16504
PNG
(CA inhibitor 7 | CA073 | PrNH-tES-Ile-Pro-OBzl | b...)
Show SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1
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n/an/a 9.10E+3n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16503
PNG
(CA inhibitor 6 | CA074Me | PrNH-tES-Ile-Pro-OMe | ...)
Show SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC
Show InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 6.80E+4n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16502
PNG
((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1
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n/an/a 29n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16501
PNG
((2S)-2-[(2S,3R)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O
Show InChI InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7?,8-,9+,10+,11+,12+/m1/s1
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n/an/a 410n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16500
PNG
((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O
Show InChI InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10?,11-,12-,13-,14-/m0/s1
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n/an/a 24n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin B


(Bos taurus (bovine))
BDBM16497
PNG
((2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
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n/an/a 2.40E+4n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Bos taurus (bovine))
BDBM16499
PNG
((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
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n/an/a 23n/an/an/an/a6.040



Osaka University of Pharmaceutical Sciences



Assay Description
Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...


J Mol Biol 362: 979-93 (2006)


Article DOI: 10.1016/j.jmb.2006.07.070
BindingDB Entry DOI: 10.7270/Q2DF6PGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin B


(Mus musculus)
BDBM36333
PNG
(LI-0 | Legumain Inhibitor -0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O
Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1
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n/an/a>1.00E+6n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM36332
PNG
(LI-1 | Legumain Inhibitor -1)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1
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n/an/a 3.90E+5n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM36334
PNG
(CID644294 | JPM 565 | JPM-OEt | US9345789, JPM-Oet)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C(C)CC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1
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n/an/a 780n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair