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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L1 (CL1)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232218
PNG
(N-4-fluorobenzoyl-L-leucine-glycine nitrile (14))
Show SMILES CCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC#N
Show InChI InChI=1/C15H18FN3O2/c1-3-10(2)13(15(21)18-9-8-17)19-14(20)11-4-6-12(16)7-5-11/h4-7,10,13H,3,9H2,1-2H3,(H,18,21)(H,19,20)/t10?,13-/s2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232217
PNG
(N-2-fluorobenzoyl-L-leucine-glycine nitrile (13))
Show SMILES CCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC#N
Show InChI InChI=1/C15H18FN3O2/c1-3-10(2)13(15(21)18-9-8-17)19-14(20)11-6-4-5-7-12(11)16/h4-7,10,13H,3,9H2,1-2H3,(H,18,21)(H,19,20)/t10?,13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232231
PNG
(N-3,5-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)NCC#N
Show InChI InChI=1/C15H17F2N3O2/c1-9(2)5-13(15(22)19-4-3-18)20-14(21)10-6-11(16)8-12(17)7-10/h6-9,13H,4-5H2,1-2H3,(H,19,22)(H,20,21)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232230
PNG
(N-3,4-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)NCC#N
Show InChI InChI=1/C15H17F2N3O2/c1-9(2)7-13(15(22)19-6-5-18)20-14(21)10-3-4-11(16)12(17)8-10/h3-4,8-9,13H,6-7H2,1-2H3,(H,19,22)(H,20,21)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232225
PNG
(N-3-fluorobenzoyl-L-leucine-glycine nitrile (21))
Show SMILES CC(C)C[C@H](NC(=O)C1CCCC(F)C1)C(=O)NCC#N
Show InChI InChI=1/C15H24FN3O2/c1-10(2)8-13(15(21)18-7-6-17)19-14(20)11-4-3-5-12(16)9-11/h10-13H,3-5,7-9H2,1-2H3,(H,18,21)(H,19,20)/t11?,12?,13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232228
PNG
(N-2,5-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(F)ccc1F)C(=O)NCC#N
Show InChI InChI=1/C15H17F2N3O2/c1-9(2)7-13(15(22)19-6-5-18)20-14(21)11-8-10(16)3-4-12(11)17/h3-4,8-9,13H,6-7H2,1-2H3,(H,19,22)(H,20,21)/t13-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232240
PNG
(N-4-trifluoromethylbenzoyl-L-leucine-glycine nitri...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NCC#N
Show InChI InChI=1/C16H18F3N3O2/c1-10(2)9-13(15(24)21-8-7-20)22-14(23)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,13H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232226
PNG
(N-2,3-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)C1CCCC(F)C1F)C(=O)NCC#N
Show InChI InChI=1/C15H23F2N3O2/c1-9(2)8-12(15(22)19-7-6-18)20-14(21)10-4-3-5-11(16)13(10)17/h9-13H,3-5,7-8H2,1-2H3,(H,19,22)(H,20,21)/t10?,11?,12-,13?/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232236
PNG
(N-2,3,4,5-tetrafluorobenzoyl-L-leucine-glycine nit...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1/C15H15F4N3O2/c1-7(2)5-10(15(24)21-4-3-20)22-14(23)8-6-9(16)12(18)13(19)11(8)17/h6-7,10H,4-5H2,1-2H3,(H,21,24)(H,22,23)/t10-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232235
PNG
(N-3,4,5-trifluorobenzoyl-L-leucine-glycine nitrile)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)C(=O)NCC#N
Show InChI InChI=1/C15H16F3N3O2/c1-8(2)5-12(15(23)20-4-3-19)21-14(22)9-6-10(16)13(18)11(17)7-9/h6-8,12H,4-5H2,1-2H3,(H,20,23)(H,21,22)/t12-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232229
PNG
(N-2,6-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC#N
Show InChI InChI=1/C15H17F2N3O2/c1-9(2)8-12(14(21)19-7-6-18)20-15(22)13-10(16)4-3-5-11(13)17/h3-5,9,12H,7-8H2,1-2H3,(H,19,21)(H,20,22)/t12-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232238
PNG
(N-2-trifluoromethylbenzoyl-L-leucine-glycine nitri...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)NCC#N
Show InChI InChI=1/C16H18F3N3O2/c1-10(2)9-13(15(24)21-8-7-20)22-14(23)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,13H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232233
PNG
(N-2,3,4-trifluorobenzoyl-L-leucine-glycine nitrile...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1/C15H16F3N3O2/c1-8(2)7-11(15(23)20-6-5-19)21-14(22)9-3-4-10(16)13(18)12(9)17/h3-4,8,11H,6-7H2,1-2H3,(H,20,23)(H,21,22)/t11-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232237
PNG
(N-2,3,4,5,6-pentafluorobenzoyl-L-leucine-glycine n...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1/C15H14F5N3O2/c1-6(2)5-7(14(24)22-4-3-21)23-15(25)8-9(16)11(18)13(20)12(19)10(8)17/h6-7H,4-5H2,1-2H3,(H,22,24)(H,23,25)/t7-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232234
PNG
(N-2,4,5-trifluorobenzoyl-L-leucine-glycine nitrile)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(F)c(F)cc1F)C(=O)NCC#N
Show InChI InChI=1/C15H16F3N3O2/c1-8(2)5-13(15(23)20-4-3-19)21-14(22)9-6-11(17)12(18)7-10(9)16/h6-8,13H,4-5H2,1-2H3,(H,20,23)(H,21,22)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232227
PNG
(N-2,4-difluorobenzoyl-L-leucine-glycine nitrile (2...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1F)C(=O)NCC#N
Show InChI InChI=1/C15H17F2N3O2/c1-9(2)7-13(15(22)19-6-5-18)20-14(21)11-4-3-10(16)8-12(11)17/h3-4,8-9,13H,6-7H2,1-2H3,(H,19,22)(H,20,21)/t13-/s2
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Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232232
PNG
(N-2,3,6-trifluorobenzoyl-L-leucine-glycine nitrile...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)ccc(F)c1F)C(=O)NCC#N
Show InChI InChI=1/C15H16F3N3O2/c1-8(2)7-11(14(22)20-6-5-19)21-15(23)12-9(16)3-4-10(17)13(12)18/h3-4,8,11H,6-7H2,1-2H3,(H,20,22)(H,21,23)/t11-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232239
PNG
(N-3-trifluoromethylbenzoyl-L-leucine-glycine nitri...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N
Show InChI InChI=1/C16H18F3N3O2/c1-10(2)8-13(15(24)21-7-6-20)22-14(23)11-4-3-5-12(9-11)16(17,18)19/h3-5,9-10,13H,7-8H2,1-2H3,(H,21,24)(H,22,23)/t13-/s2
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n/an/a 9.10E+3n/an/an/an/an/an/a



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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232241
PNG
(N-benzoyl-L-leucine-glycine (37))
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1/C15H20N2O4/c1-10(2)8-12(15(21)16-9-13(18)19)17-14(20)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)/t12-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232242
PNG
(N-cinnamoyl-L-leucine-glycine nitrile (38))
Show SMILES CC(C)C(NC(=O)\C=C\c1ccccc1)C(=O)NC(O)=O
Show InChI InChI=1/C15H18N2O4/c1-10(2)13(14(19)17-15(20)21)16-12(18)9-8-11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,16,18)(H,17,19)(H,20,21)/b9-8+
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232213
PNG
(N-2-fluorobenzoyl-L-leucine-γ-aminobutyric ac...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)NCCCC(=O)Oc1ccccc1
Show InChI InChI=1/C23H27FN2O4/c1-16(2)15-20(26-22(28)18-11-6-7-12-19(18)24)23(29)25-14-8-13-21(27)30-17-9-4-3-5-10-17/h3-7,9-12,16,20H,8,13-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/s2
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n/an/a 1.53E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232215
PNG
(N-4-fluorobenzoyl-L-leucine-γ-aminobutyric ac...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCC(=O)Oc1ccccc1
Show InChI InChI=1/C23H27FN2O4/c1-16(2)15-20(26-22(28)17-10-12-18(24)13-11-17)23(29)25-14-6-9-21(27)30-19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232215
PNG
(N-4-fluorobenzoyl-L-leucine-γ-aminobutyric ac...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCC(=O)Oc1ccccc1
Show InChI InChI=1/C23H27FN2O4/c1-16(2)15-20(26-22(28)17-10-12-18(24)13-11-17)23(29)25-14-6-9-21(27)30-19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/s2
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n/an/a 2.14E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232222
PNG
(N-4-fluorobenzoyl-L-leucine-β-alanine nitrile...)
Show SMILES CCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC#N
Show InChI InChI=1/C16H20FN3O2/c1-3-11(2)14(16(22)19-10-4-9-18)20-15(21)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,10H2,1-2H3,(H,19,22)(H,20,21)/t11?,14-/s2
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n/an/a 2.16E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232221
PNG
(N-2-fluorobenzoyl-L-leucine-β-alanine nitrile...)
Show SMILES CCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCC#N
Show InChI InChI=1/C16H20FN3O2/c1-3-11(2)14(16(22)19-10-6-9-18)20-15(21)12-7-4-5-8-13(12)17/h4-5,7-8,11,14H,3,6,10H2,1-2H3,(H,19,22)(H,20,21)/t11?,14-/s2
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n/an/a 2.43E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232210
PNG
(N-3-fluorobenzoyl-L-leucine-β-alanine benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCCC(=O)Oc1ccccc1
Show InChI InChI=1/C22H25FN2O4/c1-15(2)13-19(25-21(27)16-7-6-8-17(23)14-16)22(28)24-12-11-20(26)29-18-9-4-3-5-10-18/h3-10,14-15,19H,11-13H2,1-2H3,(H,24,28)(H,25,27)/t19-/s2
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n/an/a 2.48E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232209
PNG
(N-2-fluorobenzoyl-L-leucine-β-alanine benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)NCCC(=O)Oc1ccccc1
Show InChI InChI=1/C22H25FN2O4/c1-15(2)14-19(25-21(27)17-10-6-7-11-18(17)23)22(28)24-13-12-20(26)29-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3,(H,24,28)(H,25,27)/t19-/s2
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n/an/a 2.94E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232208
PNG
(N-pentafluorobenzoyl-L-leucine-glycine benzyl este...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCC(=O)Oc1ccccc1
Show InChI InChI=1/C21H19F5N2O4/c1-10(2)8-12(20(30)27-9-13(29)32-11-6-4-3-5-7-11)28-21(31)14-15(22)17(24)19(26)18(25)16(14)23/h3-7,10,12H,8-9H2,1-2H3,(H,27,30)(H,28,31)/t12-/s2
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n/an/a 3.95E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232214
PNG
(N-3-fluorobenzoyl-L-leucine-γ-aminobutyric ac...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCCCC(=O)Oc1ccccc1
Show InChI InChI=1/C23H27FN2O4/c1-16(2)14-20(26-22(28)17-8-6-9-18(24)15-17)23(29)25-13-7-12-21(27)30-19-10-4-3-5-11-19/h3-6,8-11,15-16,20H,7,12-14H2,1-2H3,(H,25,29)(H,26,28)/t20-/s2
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n/an/a 4.01E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232207
PNG
(N-4-fluorobenzoyl-L-leucine-glycine benzyl ester (...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)Oc1ccccc1
Show InChI InChI=1/C21H23FN2O4/c1-14(2)12-18(24-20(26)15-8-10-16(22)11-9-15)21(27)23-13-19(25)28-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,23,27)(H,24,26)/t18-/s2
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n/an/a 4.34E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232212
PNG
(N-pentafluorobenzoyl-L-leucine-β-alanine benz...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC(=O)Oc1ccccc1
Show InChI InChI=1/C22H21F5N2O4/c1-11(2)10-13(21(31)28-9-8-14(30)33-12-6-4-3-5-7-12)29-22(32)15-16(23)18(25)20(27)19(26)17(15)24/h3-7,11,13H,8-10H2,1-2H3,(H,28,31)(H,29,32)/t13-/s2
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n/an/a 5.77E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232211
PNG
(N-4-fluorobenzoyl-L-leucine-β-alanine benzyl ...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC(=O)Oc1ccccc1
Show InChI InChI=1/C22H25FN2O4/c1-15(2)14-19(25-21(27)16-8-10-17(23)11-9-16)22(28)24-13-12-20(26)29-18-6-4-3-5-7-18/h3-11,15,19H,12-14H2,1-2H3,(H,24,28)(H,25,27)/t19-/s2
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n/an/a 6.23E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232220
PNG
(N-pentafluorobenzoyl-L-alanine-glycine nitrile (16...)
Show SMILES C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N
Show InChI InChI=1/C12H8F5N3O2/c1-4(11(21)19-3-2-18)20-12(22)5-6(13)8(15)10(17)9(16)7(5)14/h4H,3H2,1H3,(H,19,21)(H,20,22)/t4-/s2
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n/an/a 6.83E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232219
PNG
(N-2-fluorobenzoyl-L-alanine-glycine nitrile (15))
Show SMILES C[C@H](NC(=O)c1ccccc1F)C(=O)NCC#N
Show InChI InChI=1/C12H12FN3O2/c1-8(11(17)15-7-6-14)16-12(18)9-4-2-3-5-10(9)13/h2-5,8H,7H2,1H3,(H,15,17)(H,16,18)/t8-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232224
PNG
(N-pentafluorobenzoyl-L-alanine-β-alanine nitr...)
Show SMILES C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC#N
Show InChI InChI=1/C13H10F5N3O2/c1-5(12(22)20-4-2-3-19)21-13(23)6-7(14)9(16)11(18)10(17)8(6)15/h5H,2,4H2,1H3,(H,20,22)(H,21,23)/t5-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232223
PNG
(N-2-fluorobenzoyl-L-alanine-β-alanine nitrile...)
Show SMILES C[C@H](NC(=O)c1ccccc1F)C(=O)NCCC#N
Show InChI InChI=1/C13H14FN3O2/c1-9(12(18)16-8-4-7-15)17-13(19)10-5-2-3-6-11(10)14/h2-3,5-6,9H,4,8H2,1H3,(H,16,18)(H,17,19)/t9-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232205
PNG
(N-2-fluorobenzoyl-L-leucine-glycine benzyl ester (...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC(=O)Oc1ccccc1
Show InChI InChI=1/C21H23FN2O4/c1-14(2)12-18(24-20(26)16-10-6-7-11-17(16)22)21(27)23-13-19(25)28-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,27)(H,24,26)/t18-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232206
PNG
(N-3-fluorobenzoyl-L-leucine-glycine benzyl ester (...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCC(=O)Oc1ccccc1
Show InChI InChI=1/C21H23FN2O4/c1-14(2)11-18(24-20(26)15-7-6-8-16(22)12-15)21(27)23-13-19(25)28-17-9-4-3-5-10-17/h3-10,12,14,18H,11,13H2,1-2H3,(H,23,27)(H,24,26)/t18-/s2
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Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)

More data for this
Ligand-Target Pair