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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L


(Bos taurus (bovine))
BDBM20124
PNG
(dipeptidyl aldehyde, 52 | tert-butyl N-[(1S)-1-[(2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O
Show InChI InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-13(14(20)17-9-10-19)11-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
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PubMed
22 -45.5n/an/an/an/an/a6.037



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))
BDBM20113
PNG
(dipeptide-derived nitrile, 34 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-11-10-21)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1
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PubMed
120 -41.1n/an/an/an/an/a6.037



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))
BDBM20096
PNG
(CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1
Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1
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180 -40.0n/an/an/an/an/a6.037



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))
BDBM20119
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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230 -39.4n/an/an/an/an/a6.037



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))
BDBM92334
PNG
(Dipeptide nitrile, 7)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C19H27N3O3S/c1-19(2,3)25-18(24)22-16(12-14-8-6-5-7-9-14)17(23)21-15(13-20)10-11-26-4/h5-9,15-16H,10-12H2,1-4H3,(H,21,23)(H,22,24)/t15?,16-/m0/s1
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270 -39.0n/an/an/an/an/a6.037



Rheinische Friedrich-Wilhelms-Universitat



Assay Description
Cathepsin enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product 7-amino-4-methylcoumarin at ...


J Enzyme Inhib Med Chem 24: 1245-52 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20108
PNG
(dipeptide-derived nitrile, 29 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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270 -39.0n/an/an/an/an/a6.037



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))
BDBM20111
PNG
(dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
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320 -38.6n/an/an/an/an/a6.037



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))
BDBM20114
PNG
(dipeptide-derived nitrile, 35 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-14-13-23)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,14-15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
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340 -38.4n/an/an/an/an/a6.037



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))
BDBM20110
PNG
(dipeptide-derived nitrile, 31 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(16(23)20-9-8-19)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,9-10H2,1-3H3,(H,20,23)(H,22,24)/t15-/m0/s1
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350 -38.3n/an/an/an/an/a6.037



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))
BDBM20102
PNG
(dipeptide-derived nitrile, 23 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-13(14(21)18-9-8-17)10-11-4-6-12(20)7-5-11/h4-7,13,20H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t13-/m0/s1
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400 -38.0n/an/an/an/an/a6.037



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))
BDBM20115
PNG
(dipeptide-derived nitrile, 39 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-13-12-23)15-16-8-7-11-18(14-16)17-9-5-4-6-10-17/h4-11,14,19H,13,15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
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430 -37.8n/an/an/an/an/a6.037



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))
BDBM20105
PNG
(dipeptide-derived nitrile, 26 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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470 -37.6n/an/an/an/an/a6.037



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))
BDBM92335
PNG
(Dipeptide nitrile, 8)
Show SMILES C[S+](C)CCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)26-19(25)23-17(13-15-9-7-6-8-10-15)18(24)22-16(14-21)11-12-27(4)5/h6-10,16-17H,11-13H2,1-5H3,(H-,22,23,24,25)/p+1/t16?,17-/m0/s1
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520 -37.3n/an/an/an/an/a6.037



Rheinische Friedrich-Wilhelms-Universitat



Assay Description
Cathepsin enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product 7-amino-4-methylcoumarin at ...


J Enzyme Inhib Med Chem 24: 1245-52 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20095
PNG
(dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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520 -37.3n/an/an/an/an/a6.037



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))
BDBM20120
PNG
((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
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550 -37.2n/an/an/an/an/a6.037



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))
BDBM20107
PNG
(dipeptide-derived nitrile, 28 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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630 -36.8n/an/an/an/an/a6.037



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))
BDBM20103
PNG
(dipeptide-derived nitrile, 24 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-4-6-12(17)7-5-11/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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640 -36.8n/an/an/an/an/a6.037



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))
BDBM20104
PNG
(dipeptide-derived nitrile, 25 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCC#N
Show InChI InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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700 -36.5n/an/an/an/an/a6.037



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))
BDBM19768
PNG
(Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O3/c1-12(2)10-14(15(20)18-9-8-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
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750 -36.4n/an/an/an/an/a6.037



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))
BDBM92336
PNG
(Dipeptide nitrile, 10)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC#N)C#N
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(11-13-7-5-4-6-8-13)16(23)21-14(12-20)9-10-19/h4-8,14-15H,9,11H2,1-3H3,(H,21,23)(H,22,24)/t14-,15-/m0/s1
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900 -35.9n/an/an/an/an/a6.037



Rheinische Friedrich-Wilhelms-Universitat



Assay Description
Cathepsin enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product 7-amino-4-methylcoumarin at ...


J Enzyme Inhib Med Chem 24: 1245-52 (2009)

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+3 -35.4n/an/an/an/an/a6.037



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))
BDBM20109
PNG
(dipeptide-derived nitrile, 30 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N
Show InChI InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
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1.10E+3 -35.4n/an/an/an/an/a6.037



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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PubMed
1.20E+3 -35.2n/an/an/an/an/a6.037



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))
BDBM20098
PNG
(dipeptide-derived nitrile, 19 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O3S/c1-14(2,3)20-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-21-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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1.60E+3 -34.4n/an/an/an/an/a6.037



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))
BDBM20112
PNG
(dipeptide-derived nitrile, 33 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-12-11-21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,17H,12-13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1
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PubMed
1.70E+3 -34.3n/an/an/an/an/a6.037



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))
BDBM20125
PNG
(methyl ketone, 53 | tert-butyl N-[(1S)-1-[(2-oxopr...)
Show SMILES CC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C17H24N2O4/c1-12(20)11-18-15(21)14(10-13-8-6-5-7-9-13)19-16(22)23-17(2,3)4/h5-9,14H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t14-/m0/s1
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PubMed
2.30E+3 -33.5n/an/an/an/an/a6.037



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))
BDBM20106
PNG
(dipeptide-derived nitrile, 27 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1S/C16H16F5N3O3/c1-16(2,3)27-15(26)24-8(14(25)23-5-4-22)6-7-9(17)11(19)13(21)12(20)10(7)18/h8H,5-6H2,1-3H3,(H,23,25)(H,24,26)/t8-/m0/s1
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PubMed
2.50E+3 -33.3n/an/an/an/an/a6.037



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))
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+3 -33.0n/an/an/an/an/a6.037



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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PubMed
4.90E+3 -31.5n/an/an/an/an/a6.037



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))
BDBM20118
PNG
((2S)-N-(cyanomethyl)-2-acetamido-3-phenylpropanami...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C13H15N3O2/c1-10(17)16-12(13(18)15-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,8-9H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
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PubMed
5.80E+3 -31.1n/an/an/an/an/a6.037



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))
BDBM20100
PNG
(dipeptide-derived nitrile, 21 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)20-14(15(21)19-12-11-18)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10,12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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PubMed
9.40E+3 -29.8n/an/an/an/an/a6.037



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))
BDBM20097
PNG
(dipeptide-derived nitrile, 18 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-11(12(18)16-7-6-15)9-10-5-4-8-20-10/h4-5,8,11H,7,9H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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PubMed
1.40E+4 -28.8n/an/an/an/an/a6.037



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))
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+4 -28.0n/an/an/an/an/a6.037



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))
BDBM20091
PNG
(dipeptide-derived nitrile, 12 | tert-butyl N-[(1S)...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3S/c1-12(2,3)18-11(17)15-9(5-8-19-4)10(16)14-7-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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1.90E+4 -28.0n/an/an/an/an/a6.037



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))
BDBM50318718
PNG
((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C36H53N9O11/c1-19(2)14-24(34(53)41-21(5)33(52)45-31(20(3)4)32(37)51)44-35(54)26(16-38-22(6)46)43-28(48)13-12-27(47)39-17-29(49)40-18-30(50)42-25(36(55)56)15-23-10-8-7-9-11-23/h7-13,19-21,24-26,31H,14-18H2,1-6H3,(H2,37,51)(H,38,46)(H,39,47)(H,40,49)(H,41,53)(H,42,50)(H,43,48)(H,44,54)(H,45,52)(H,55,56)/b13-12+/t21-,24-,25-,26-,31-/m0/s1
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2.08E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20086
PNG
(dipeptide-derived nitrile, 6 | tert-butyl N-[(1S)-...)
Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C12H21N3O3/c1-5-6-9(10(16)14-8-7-13)15-11(17)18-12(2,3)4/h9H,5-6,8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
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PubMed
2.20E+4 -27.7n/an/an/an/an/a6.037



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))
BDBM20117
PNG
(N-(cyanomethyl)-2-(naphthalene-2-sulfonamido)aceta...)
Show SMILES O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCC#N
Show InChI InChI=1S/C14H13N3O3S/c15-7-8-16-14(18)10-17-21(19,20)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,17H,8,10H2,(H,16,18)
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2.50E+4 -27.3n/an/an/an/an/a6.037



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))
BDBM20094
PNG
(dipeptide-derived nitrile, 15 | tert-butyl N-[(S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1
Show InChI InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12(13(19)17-10-9-16)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
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PubMed
2.90E+4 -26.9n/an/an/an/an/a6.037



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))
BDBM50318715
PNG
((2S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,21-d...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C37H56N8O10/c1-20(2)15-25(35(52)44-26(16-21(3)4)36(53)45-32(22(5)6)33(38)50)43-34(51)23(7)41-29(47)14-13-28(46)39-18-30(48)40-19-31(49)42-27(37(54)55)17-24-11-9-8-10-12-24/h8-14,20-23,25-27,32H,15-19H2,1-7H3,(H2,38,50)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,52)(H,45,53)(H,54,55)/b14-13+/t23-,25-,26-,27-,32-/m0/s1
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3.07E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20101
PNG
(dipeptide-derived nitrile, 22 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)20-14(15(21)19-10-9-18)12-23-11-13-7-5-4-6-8-13/h4-8,14H,10-12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1
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3.30E+4 -26.6n/an/an/an/an/a6.037



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))
BDBM50318716
PNG
((2S,8S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C38H58N8O10/c1-20(2)16-26(36(53)45-27(17-21(3)4)37(54)46-32(22(5)6)33(39)50)44-35(52)24(8)42-30(48)15-14-29(47)41-23(7)34(51)40-19-31(49)43-28(38(55)56)18-25-12-10-9-11-13-25/h9-15,20-24,26-28,32H,16-19H2,1-8H3,(H2,39,50)(H,40,51)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,55,56)/b15-14+/t23-,24-,26-,27-,28-,32-/m0/s1
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3.36E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM50318710
PNG
((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C43H60N8O10/c1-25(2)19-30(40(57)50-31(20-26(3)4)42(59)51-38(27(5)6)39(44)56)49-41(58)32(21-28-13-9-7-10-14-28)47-35(53)18-17-34(52)45-23-36(54)46-24-37(55)48-33(43(60)61)22-29-15-11-8-12-16-29/h7-18,25-27,30-33,38H,19-24H2,1-6H3,(H2,44,56)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,60,61)/b18-17+/t30-,31-,32-,33-,38-/m0/s1
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3.48E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM50318712
PNG
((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O
Show InChI InChI=1S/C39H57N9O11/c1-21(2)32(35(41)54)46-37(56)33(22(3)4)47-38(57)34(24-13-9-6-10-14-24)48-36(55)25(18-27(40)49)44-29(51)16-15-28(50)42-19-30(52)43-20-31(53)45-26(39(58)59)17-23-11-7-5-8-12-23/h5,7-8,11-12,15-16,21-22,24-26,32-34H,6,9-10,13-14,17-20H2,1-4H3,(H2,40,49)(H2,41,54)(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,56)(H,47,57)(H,48,55)(H,58,59)/b16-15+/t25-,26-,32-,33-,34-/m0/s1
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3.75E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM50318717
PNG
((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C39H59N9O11/c1-21(2)15-26(36(55)46-27(16-22(3)4)37(56)48-34(23(5)6)35(40)54)47-38(57)29(18-41-24(7)49)45-31(51)14-13-30(50)42-19-32(52)43-20-33(53)44-28(39(58)59)17-25-11-9-8-10-12-25/h8-14,21-23,26-29,34H,15-20H2,1-7H3,(H2,40,54)(H,41,49)(H,42,50)(H,43,52)(H,44,53)(H,45,51)(H,46,55)(H,47,57)(H,48,56)(H,58,59)/b14-13+/t26-,27-,28-,29-,34-/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University of Duisburg-Essen

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen cathepsin L


J Med Chem 52: 5662-72 (2009)

More data for this
Ligand-Target Pair
Cathepsin L


(Bos taurus (bovine))
BDBM20099
PNG
(dipeptide-derived nitrile, 20 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O3S/c1-14(2,3)20-13(19)17-11(12(18)16-6-5-15)8-10-4-7-21-9-10/h4,7,9,11H,6,8H2,1-3H3,(H,16,18)(H,17,19)/t11-/m0/s1
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4.50E+4 -25.8n/an/an/an/an/a6.037



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+4 -25.7n/an/an/an/an/a6.037



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+5>-23.7n/an/an/an/an/a6.037



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))
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+5>-23.7n/an/an/an/an/a6.037



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))
BDBM20083
PNG
(dipeptide-derived nitrile, 3 | tert-butyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N
Show InChI InChI=1S/C10H17N3O3/c1-7(8(14)12-6-5-11)13-9(15)16-10(2,3)4/h7H,6H2,1-4H3,(H,12,14)(H,13,15)/t7-/m0/s1
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>1.00E+5>-23.7n/an/an/an/an/a6.037



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))
BDBM20123
PNG
(2-({N-benzyl-N'-[(tert-butoxy)carbonyl]hydrazineca...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C15H20N4O3/c1-15(2,3)22-14(21)18-19(13(20)17-10-9-16)11-12-7-5-4-6-8-12/h4-8H,10-11H2,1-3H3,(H,17,20)(H,18,21)
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>1.00E+5>-23.7n/an/an/an/an/a6.037



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
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