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Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'raghav' and Initial = 'n'   
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))
BDBM120828
PNG
(N-formyl-5-(-3'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-7-4-8-14(9-13)19(21)22)10-15(17-18)12-5-2-1-3-6-12/h1-9,11,16H,10H2
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PubMed
0.0110 -65.1n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat brain cathepsin B


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120829
PNG
(N-formyl-5-(-4'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-6-8-14(9-7-13)19(21)22)10-15(17-18)12-4-2-1-3-5-12/h1-9,11,16H,10H2
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0.113 -59.1n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120827
PNG
(N-formyl-5-(-2'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-8-4-5-9-15(13)19(21)22)10-14(17-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2
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PubMed
0.141 -58.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120822
PNG
(N-formyl-5-(-3'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-8-4-7-13(9-14)16-10-15(18-19(16)11-20)12-5-2-1-3-6-12/h1-9,11,16H,10H2
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0.146 -58.4n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120821
PNG
(N-formyl-5-(-2'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-9-5-4-8-13(14)16-10-15(18-19(16)11-20)12-6-2-1-3-7-12/h1-9,11,16H,10H2
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0.180 -57.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120823
PNG
(N-formyl-5-(-4'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16-10-15(18-19(16)11-20)12-4-2-1-3-5-12/h1-9,11,16H,10H2
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0.211 -57.4n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120820
PNG
(N-formyl-3,5-diphenylpyrazoline (1a))
Show SMILES O=CN1N=C(CC1c1ccccc1)c1ccccc1 |c:3|
Show InChI InChI=1S/C16H14N2O/c19-12-18-16(14-9-5-2-6-10-14)11-15(17-18)13-7-3-1-4-8-13/h1-10,12,16H,11H2
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0.227 -57.3n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120826
PNG
(N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-15-9-7-14(8-10-15)17-11-16(18-19(17)12-20)13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
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0.448 -55.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120825
PNG
(N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-15-9-5-8-14(10-15)17-11-16(18-19(17)12-20)13-6-3-2-4-7-13/h2-10,12,17H,11H2,1H3
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0.455 -55.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120828
PNG
(N-formyl-5-(-3'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-7-4-8-14(9-13)19(21)22)10-15(17-18)12-5-2-1-3-6-12/h1-9,11,16H,10H2
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0.519 -55.1n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120829
PNG
(N-formyl-5-(-4'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-6-8-14(9-7-13)19(21)22)10-15(17-18)12-4-2-1-3-5-12/h1-9,11,16H,10H2
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0.580 -54.8n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120824
PNG
(N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-17-10-6-5-9-14(17)16-11-15(18-19(16)12-20)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
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0.668 -54.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120827
PNG
(N-formyl-5-(-2'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-8-4-5-9-15(13)19(21)22)10-14(17-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2
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0.963 -53.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120822
PNG
(N-formyl-5-(-3'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-8-4-7-13(9-14)16-10-15(18-19(16)11-20)12-5-2-1-3-6-12/h1-9,11,16H,10H2
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1.30 -52.8n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120821
PNG
(N-formyl-5-(-2'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-9-5-4-8-13(14)16-10-15(18-19(16)11-20)12-6-2-1-3-7-12/h1-9,11,16H,10H2
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1.35 -52.7n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120823
PNG
(N-formyl-5-(-4'-chlorophenyl)-3-phenylpyrazoli...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16-10-15(18-19(16)11-20)12-4-2-1-3-5-12/h1-9,11,16H,10H2
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1.37 -52.6n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120820
PNG
(N-formyl-3,5-diphenylpyrazoline (1a))
Show SMILES O=CN1N=C(CC1c1ccccc1)c1ccccc1 |c:3|
Show InChI InChI=1S/C16H14N2O/c19-12-18-16(14-9-5-2-6-10-14)11-15(17-18)13-7-3-1-4-8-13/h1-10,12,16H,11H2
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1.74 -52.0n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120838
PNG
(N-benzoyl-5-(-3'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(17-10-5-2-6-11-17)24-21(18-12-7-13-19(14-18)25(27)28)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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1.95 -51.7n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120826
PNG
(N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-15-9-7-14(8-10-15)17-11-16(18-19(17)12-20)13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
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2.21 -51.4n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120825
PNG
(N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-15-9-5-8-14(10-15)17-11-16(18-19(17)12-20)13-6-3-2-4-7-13/h2-10,12,17H,11H2,1H3
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2.72 -50.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120839
PNG
(N-benzoyl-5-(-4'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(18-9-5-2-6-10-18)24-21(17-11-13-19(14-12-17)25(27)28)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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2.87 -50.7n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120824
PNG
(N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazol...)
Show SMILES COc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H16N2O2/c1-21-17-10-6-5-9-14(17)16-11-15(18-19(16)12-20)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
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3.87 -49.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
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 B


(Capra hircus (Goat))
BDBM120837
PNG
(N-benzoyl-5-(-2'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(17-11-5-2-6-12-17)24-21(18-13-7-8-14-20(18)25(27)28)15-19(23-24)16-9-3-1-4-10-16/h1-14,21H,15H2
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5.72 -48.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
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 B


(Capra hircus (Goat))
BDBM150783
PNG
(2-(4-Fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one...)
Show SMILES Fc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1S/C14H11FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
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6.40n/an/an/an/an/an/a6.0n/a



Kurukshetra University



Assay Description
Cathepsin B and H were first activated in the presence of thiol activators at pH 6.0 and pH 7.0, respectively. Then, 15 µL of the enzyme solution was...


Bioorg Chem 59: 12-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2DZ071B
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120832
PNG
(N-benzoyl-5-(-3'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(26)17-10-5-2-6-11-17/h1-14,21H,15H2
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6.77 -48.5n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
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 B


(Capra hircus (Goat))
BDBM120831
PNG
(N-benzoyl-5-(-2'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)24-25(21)22(26)17-11-5-2-6-12-17/h1-14,21H,15H2
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7.75 -48.2n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
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 B


(Capra hircus (Goat))
BDBM120833
PNG
(N-benzoyl-5-(-4'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(26)18-9-5-2-6-10-18/h1-14,21H,15H2
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9.25 -47.7n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120838
PNG
(N-benzoyl-5-(-3'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(17-10-5-2-6-11-17)24-21(18-12-7-13-19(14-18)25(27)28)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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9.80 -47.6n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120830
PNG
(N-benzoyl-3,5-diphenylpyrazoline (2a))
Show SMILES O=C(N1N=C(CC1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
Show InChI InChI=1S/C22H18N2O/c25-22(19-14-8-3-9-15-19)24-21(18-12-6-2-7-13-18)16-20(23-24)17-10-4-1-5-11-17/h1-15,21H,16H2
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11.5 -47.1n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120839
PNG
(N-benzoyl-5-(-4'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(18-9-5-2-6-10-18)24-21(17-11-13-19(14-12-17)25(27)28)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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12.7 -46.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120836
PNG
(N-benzoyl-5-(-4'-methoxy phenyl)-3-phenylpyraz...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H20N2O2/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)24-25(22)23(26)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
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12.8 -46.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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13n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat brain cathepsin B


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
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 H


(Capra hircus (Goat))
BDBM120837
PNG
(N-benzoyl-5-(-2'-nitrophenyl)-3-phenylpyrazoli...)
Show SMILES [O-][N+](=O)c1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H17N3O3/c26-22(17-11-5-2-6-12-17)24-21(18-13-7-8-14-20(18)25(27)28)15-19(23-24)16-9-3-1-4-10-16/h1-14,21H,15H2
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14.4 -46.6n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM120835
PNG
(N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyraz...)
Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H20N2O2/c1-27-20-14-8-13-19(15-20)22-16-21(17-9-4-2-5-10-17)24-25(22)23(26)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3
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15.9 -46.3n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120832
PNG
(N-benzoyl-5-(-3'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(26)17-10-5-2-6-11-17/h1-14,21H,15H2
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18.1 -46.0n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM120831
PNG
(N-benzoyl-5-(-2'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)24-25(21)22(26)17-11-5-2-6-12-17/h1-14,21H,15H2
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18.9 -45.9n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
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 H


(Capra hircus (Goat))
BDBM120833
PNG
(N-benzoyl-5-(-4'-chloro phenyl)-3-phenylpyrazo...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H17ClN2O/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(26)18-9-5-2-6-10-18/h1-14,21H,15H2
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30.1 -44.7n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair
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