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9 similar compounds to monomer 20086

Wt: 332.5
BDBM19137
Wt: 269.3
BDBM20092
Wt: 253.2
BDBM20093
Wt: 241.2
BDBM20084
Wt: 255.3
BDBM20085
Wt: 269.3
BDBM20087
Wt: 269.3
BDBM20088
Wt: 267.3
BDBM20089
Wt: 309.4
BDBM20090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 19137,20092,20093,20084,20085,20087,20088,20089,20090   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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44n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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120n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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130n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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>330n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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550n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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650n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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PubMed
1.57E+3 -7.91n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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PubMed
2.00E+3 -7.77n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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2.00E+3 -7.77n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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2.20E+3 -7.71n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20088
PNG
(dipeptide-derived nitrile, 9 | tert-butyl N-[(1S,2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20088
PNG
(dipeptide-derived nitrile, 9 | tert-butyl N-[(1S,2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20090
PNG
(dipeptide-derived nitrile, 11 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C16H27N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h12-13H,4-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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5.40E+3 -7.18n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20088
PNG
(dipeptide-derived nitrile, 9 | tert-butyl N-[(1S,2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20085
PNG
(dipeptide-derived nitrile, 5 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-8(2)9(10(16)14-7-6-13)15-11(17)18-12(3,4)5/h8-9H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.30E+4 -6.66n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20092
PNG
(dipeptide-derived nitrile, 13 | tert-butyl N-[(1S)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-5-6-7-10(11(17)15-9-8-14)16-12(18)19-13(2,3)4/h10H,5-7,9H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20088
PNG
(dipeptide-derived nitrile, 9 | tert-butyl N-[(1S,2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
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2.60E+4 -6.25n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20089
PNG
(dipeptide-derived nitrile, 10 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N
Show InChI InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-10(8-9-4-5-9)11(17)15-7-6-14/h9-10H,4-5,7-8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
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4.70E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM20087
PNG
(dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1
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9.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20084
PNG
(dipeptide-derived nitrile, 4 | tert-butyl N-[(1S)-...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C11H19N3O3/c1-5-8(9(15)13-7-6-12)14-10(16)17-11(2,3)4/h8H,5,7H2,1-4H3,(H,13,15)(H,14,16)/t8-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20093
PNG
(dipeptide-derived nitrile, 14 | tert-butyl (2S)-2-...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-4-5-9(15)10(16)14-7-6-13/h9H,4-5,7-8H2,1-3H3,(H,14,16)/t9-/m0/s1
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5.37E+5 -4.46n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 3.00E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)

More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 71n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)

More data for this
Ligand-Target Pair