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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50121039
PNG
(CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...)
Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121041
PNG
(CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121040
PNG
(CHEMBL117928 | [(S)-2-Pyridin-3-yl-1-((5S,6R)-4,4,...)
Show SMILES O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C21H22N4O6S/c26-18(24-17-19(27)25-9-10-32(29,30)20(17)25)16(11-15-7-4-8-22-12-15)23-21(28)31-13-14-5-2-1-3-6-14/h1-8,12,16-17,20H,9-11,13H2,(H,23,28)(H,24,26)/t16-,17+,20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121042
PNG
(CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...)
Show SMILES O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-12-13-36(33,34)25(22)29)21(27-26(32)35-16-17-6-2-1-3-7-17)15-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14,21-22,25H,12-13,15-16H2,(H,27,32)(H,28,30)/t21-,22+,25-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121044
PNG
(CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...)
Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1
Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121038
PNG
(CHEMBL113706 | [(S)-2-Thiophen-2-yl-1-((5S,6R)-4,4...)
Show SMILES O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O6S2/c24-17(22-16-18(25)23-8-10-31(27,28)19(16)23)15(11-14-7-4-9-30-14)21-20(26)29-12-13-5-2-1-3-6-13/h1-7,9,15-16,19H,8,10-12H2,(H,21,26)(H,22,24)/t15-,16+,19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121030
PNG
(CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121043
PNG
(CHEMBL323637 | [(S)-1-((R)-4,7-Dioxo-4-(R)-oxo-4la...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121035
PNG
(CHEMBL326342 | [(S)-1-((R)-4-(S)-Oxo-7-oxo-4lambda...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5S/c26-19(24-18-20(27)25-11-12-31(29)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-,31?/m0/s1
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n/an/a 68n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121031
PNG
(CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121029
PNG
(CHEMBL116910 | [(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bic...)
Show SMILES O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C21H21N3O5/c25-18(22-17-19(26)24-11-12-28-20(17)24)16(15-9-5-2-6-10-15)23-21(27)29-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2,(H,22,25)(H,23,27)/t16-,17+,20+/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121034
PNG
(CHEMBL332025 | [1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3...)
Show SMILES O=C(NC(Cc1ccccc1)C(=O)NC1[C@@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17?,18?,21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121036
PNG
(CHEMBL421054 | [(S)-1-((R)-7-Oxo-4-thia-1-aza-bicy...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2SCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O4S/c26-19(24-18-20(27)25-11-12-30-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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n/an/a 6.68E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/a5.522



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


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


(Rattus norvegicus)
BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/a5.522



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


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


(Rattus norvegicus)
BDBM25134
PNG
(2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3
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n/an/a>1.00E+4n/an/an/an/a5.522



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


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


(Rattus norvegicus)
BDBM50121037
PNG
(CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)

More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121033
PNG
(CHEMBL115822 | [(S)-2-Phenyl-1-((6R,7R)-5,5,8-trio...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22+/m0/s1
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PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)

More data for this
Ligand-Target Pair