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Compile Data Set for Download or QSAR

Found 2448 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (L and K)'   
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


(Homo sapiens (Human))
BDBM50167289
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.0360n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19770
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1
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0.0400 -58.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335281
PNG
(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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0.0680 -57.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335289
PNG
(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335280
PNG
(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335278
PNG
(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50002402
PNG
(CHEMBL194643)
Show SMILES O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C35H32N4O5S/c40-32-23-39(45(43,44)33-16-5-6-19-36-33)20-8-15-30(32)37-35(42)31(22-24-17-18-25-9-1-2-11-27(25)21-24)38-34(41)29-14-7-12-26-10-3-4-13-28(26)29/h1-7,9-14,16-19,21,30-31H,8,15,20,22-23H2,(H,37,42)(H,38,41)/t30-,31-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50084650
PNG
(CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...)
Show SMILES Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1
Show InChI InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50098576
PNG
(5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50002374
PNG
(CHEMBL194861)
Show SMILES O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C33H30N4O6S/c38-28-21-37(44(41,42)31-13-5-6-16-34-31)17-7-11-26(28)35-32(39)27(19-22-14-15-23-8-1-2-9-24(23)18-22)36-33(40)30-20-25-10-3-4-12-29(25)43-30/h1-6,8-10,12-16,18,20,26-27H,7,11,17,19,21H2,(H,35,39)(H,36,40)/t26-,27-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50090644
PNG
(CHEMBL48837 | {(S)-1-[(S)-1-(4-Butoxy-benzyl)-2,3-...)
Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1
Show InChI InChI=1S/C31H34N2O6/c1-2-3-18-38-26-16-14-24(15-17-26)19-27(29(35)21-34)32-30(36)28(20-23-10-6-4-7-11-23)33-31(37)39-22-25-12-8-5-9-13-25/h4-17,21,27-28H,2-3,18-20,22H2,1H3,(H,32,36)(H,33,37)/t27-,28-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Ability to block cathepsin L-catalyzed hydrolysis of the fluorogenic substrate Z-Phe-Arg-NHMec


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19775
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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0.630 -52.0n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50167290
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C
Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50002399
PNG
(CHEMBL197958)
Show SMILES CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C=O
Show InChI InChI=1S/C27H29N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-11-19-9-4-6-12-23(19)25)27(32)29-22(17-31)16-21-15-20-10-5-7-13-24(20)28-21/h4-15,17-18,22,26,28,30H,3,16H2,1-2H3,(H,29,32)/t18?,22-,26-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50304794
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50374367
PNG
(CHEMBL271004)
Show SMILES CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H32N4O7/c1-4-5-12-19(23(33)26-31-30-25(38-26)21-13-9-14-36-21)28-24(34)22(32)20(15-17(2)3)29-27(35)37-16-18-10-7-6-8-11-18/h6-11,13-14,17,19-20H,4-5,12,15-16H2,1-3H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137388
PNG
(((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137398
PNG
(((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...)
Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137400
PNG
(((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137394
PNG
(((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50410979
PNG
(CHEMBL207347)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H29N3O6/c1-4-9-19(21(29)24-28-27-23(34-24)20-12-8-13-32-20)26-22(30)18(14-16(2)3)25(31)33-15-17-10-6-5-7-11-17/h5-8,10-13,16,18-19H,4,9,14-15H2,1-3H3,(H,26,30)/t18-,19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem Lett 16: 2909-14 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19564
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C30H31N3O3/c1-21-6-5-9-25(18-21)29(34)33-28(20-22-10-11-23-7-3-4-8-24(23)19-22)30(35)32-17-16-31-26-12-14-27(36-2)15-13-26/h3-15,18-19,28,31H,16-17,20H2,1-2H3,(H,32,35)(H,33,34)/t28-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335283
PNG
(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19566
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C32H33N3O3/c1-23-7-6-10-27(21-23)31(36)35-30(22-24-11-13-26(14-12-24)25-8-4-3-5-9-25)32(37)34-20-19-33-28-15-17-29(38-2)18-16-28/h3-18,21,30,33H,19-20,22H2,1-2H3,(H,34,37)(H,35,36)/t30-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50168941
PNG
(CHEMBL3804928)
Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1
Show InChI InChI=1/C26H28N6O6/c27-14-21(17-37-18-22-15-32(31-30-22)12-11-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-16-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23+/s2
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L using Cbz-Phe-Arg-pNA as substrate incubated for 30 mins measured for 20 mins by photometrical analysis


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137392
PNG
(CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335282
PNG
(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19553
PNG
((2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H28ClN3O3/c1-18-4-3-5-20(16-18)25(31)30-24(17-19-6-8-21(27)9-7-19)26(32)29-15-14-28-22-10-12-23(33-2)13-11-22/h3-13,16,24,28H,14-15,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50002400
PNG
(CHEMBL382286)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C28H32N4O5S/c1-19(2)17-24(31-27(34)22-12-7-10-20-9-3-4-11-21(20)22)28(35)30-23-13-8-16-32(18-25(23)33)38(36,37)26-14-5-6-15-29-26/h3-7,9-12,14-15,19,23-24H,8,13,16-18H2,1-2H3,(H,30,35)(H,31,34)/t23-,24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19554
PNG
((2S)-3-(3-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H28ClN3O3/c1-18-5-3-7-20(15-18)25(31)30-24(17-19-6-4-8-21(27)16-19)26(32)29-14-13-28-22-9-11-23(33-2)12-10-22/h3-12,15-16,24,28H,13-14,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50108840
PNG
(3-[3-(2-Benzyloxycarbonylamino-3-phenyl-propionyla...)
Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36N2O6S/c1-2-39-30(36)18-19-41-23-29(35)27(20-24-12-6-3-7-13-24)33-31(37)28(21-25-14-8-4-9-15-25)34-32(38)40-22-26-16-10-5-11-17-26/h3-17,27-28H,2,18-23H2,1H3,(H,33,37)(H,34,38)/t27-,28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335276
PNG
(CHEMBL1651242 | N-(Benzyloxycarbonyl)-valyl-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-12(2)14(15(21)20(4)19(3)11-17)18-16(22)23-10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,18,22)/t14-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19610
PNG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50108862
PNG
(CHEMBL161651 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...)
Show SMILES CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H36N2O4S/c1-31(2,3)38-22-28(34)26(19-23-13-7-4-8-14-23)32-29(35)27(20-24-15-9-5-10-16-24)33-30(36)37-21-25-17-11-6-12-18-25/h4-18,26-27H,19-22H2,1-3H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50002367
PNG
(CHEMBL407633)
Show SMILES O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C29H28N4O6S/c34-24-19-33(40(37,38)27-14-6-7-15-30-27)16-8-12-22(24)31-28(35)23(17-20-9-2-1-3-10-20)32-29(36)26-18-21-11-4-5-13-25(21)39-26/h1-7,9-11,13-15,18,22-23H,8,12,16-17,19H2,(H,31,35)(H,32,36)/t22-,23-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335284
PNG
(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137393
PNG
(CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137395
PNG
(CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50137389
PNG
(((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19600
PNG
((2S)-N-[(2R,3R)-3-(benzyloxy)-1-(5-fluoro-2,3-dihy...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)OCc1ccccc1
Show InChI InChI=1S/C37H46FN3O4/c1-26(45-25-28-12-7-4-8-13-28)34(24-41-21-20-29-22-31(38)17-19-35(29)41)40-37(43)33(18-16-27-10-5-3-6-11-27)39-36(42)30-14-9-15-32(23-30)44-2/h4,7-9,12-15,17,19,22-23,26-27,33-34H,3,5-6,10-11,16,18,20-21,24-25H2,1-2H3,(H,39,42)(H,40,43)/t26-,33+,34-/m1/s1
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2n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Human cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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2.20 -48.9n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50335277
PNG
(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay


J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19557
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C27H28F3N3O3/c1-18-4-3-5-20(16-18)25(34)33-24(17-19-6-8-21(9-7-19)27(28,29)30)26(35)32-15-14-31-22-10-12-23(36-2)13-11-22/h3-13,16,24,31H,14-15,17H2,1-2H3,(H,32,35)(H,33,34)/t24-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 15: 4979-84 (2005)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50108856
PNG
(CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phe...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C36H38N2O4S/c39-34(27-43-23-13-22-28-14-5-1-6-15-28)32(24-29-16-7-2-8-17-29)37-35(40)33(25-30-18-9-3-10-19-30)38-36(41)42-26-31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2,(H,37,40)(H,38,41)/t32-,33-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Cathepsin L


Citation and Details
More data for this
Ligand-Target Pair
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