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Compile Data Set for Download or QSAR

Found 2319 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L1' AND taxid = 9606   
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 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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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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PubMed
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


J Med Chem 44: 1380-95 (2001)

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


Citation and Details
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


Bioorg Med Chem Lett 10: 1771-3 (2000)

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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


Citation and Details
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


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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


Bioorg Med Chem Lett 14: 87-90 (2003)

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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1.10 -53.2n/an/an/an/an/a5.537



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...


Citation and Details
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


Citation and Details
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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1.20 -53.0n/an/an/an/an/a5.537



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...


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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


Citation and Details
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


Citation and Details
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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1.40 -52.6n/an/an/an/an/a5.537



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...


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


Citation and Details
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


J Med Chem 45: 676-84 (2002)

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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1.5 -52.4n/an/an/an/an/a5.537



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...


Citation and Details
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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1.60 -52.2n/an/an/an/an/a5.537



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...


Citation and Details
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


J Med Chem 45: 676-84 (2002)

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


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


Bioorg Med Chem Lett 14: 87-90 (2003)

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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2 -51.6n/an/an/an/an/a5.537



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...


Citation and Details
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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


Bioorg Med Chem Lett 14: 87-90 (2003)

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


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
Inhibitory activity of the compound against Human cathepsin L


J Med Chem 44: 1380-95 (2001)

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


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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2.20 -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...


Citation and Details
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


Citation and Details
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


J Med Chem 45: 676-84 (2002)

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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2.80 -50.8n/an/an/an/an/a5.537



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...


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


(Homo sapiens (human))
BDBM19556
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-3-(4-meth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C27H31N3O3/c1-19-7-9-21(10-8-19)18-25(30-26(31)22-6-4-5-20(2)17-22)27(32)29-16-15-28-23-11-13-24(33-3)14-12-23/h4-14,17,25,28H,15-16,18H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
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PubMed
3.40 -50.3n/an/an/an/an/a5.537



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...


Citation and Details
More data for this
Ligand-Target Pair
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