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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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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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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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PubMed
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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+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 ...


Citation and Details
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 ...


Citation and Details
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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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 ...


Citation and Details
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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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 ...


Citation and Details
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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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 ...


Citation and Details
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 ...


Citation and Details
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+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 ...


Citation and Details
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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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 ...


Citation and Details
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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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 ...


Citation and Details
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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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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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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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 ...


Citation and Details
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 ...


Citation and Details
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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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 ...


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


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+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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
More data for this
Ligand-Target Pair
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