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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'toscano' and Initial = 'kt'   
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 (B and K)


(Homo sapiens (Human))
BDBM50135541
PNG
(5-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H26FN3O6/c1-17-3-2-4-18(9-17)11-26(32-21-7-6-20-15-39-29(37)23(20)12-21)27(34)33-22(13-31)16-38-14-19-5-8-25(30)24(10-19)28(35)36/h2-10,12,22,26,32H,11,14-16H2,1H3,(H,33,34)(H,35,36)/t22-,26+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135543
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-1,3-dioxo-2,3-di...)
Show SMILES CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H28N4O6/c1-18-5-3-6-19(11-18)13-26(32-22-9-10-24-25(14-22)29(37)34(2)28(24)36)27(35)33-23(15-31)17-40-16-20-7-4-8-21(12-20)30(38)39/h3-12,14,23,26,32H,13,16-17H2,1-2H3,(H,33,35)(H,38,39)/t23-,26+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135533
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C29H27N7O4/c1-19-4-2-5-20(10-19)12-27(32-23-9-8-22-16-40-29(38)26(22)13-23)28(37)33-24(14-30)17-39-15-21-6-3-7-25(11-21)36-18-31-34-35-36/h2-11,13,18,24,27,32H,12,15-17H2,1H3,(H,33,37)/t24-,27+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135535
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C31H31N3O6/c1-19-6-4-7-20(12-19)14-27(33-23-10-11-26-25(15-23)30(38)40-31(26,2)3)28(35)34-24(16-32)18-39-17-21-8-5-9-22(13-21)29(36)37/h4-13,15,24,27,33H,14,17-18H2,1-3H3,(H,34,35)(H,36,37)/t24-,27+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135537
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-indan-5-ylamino)-3-...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3CCC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C30H29N3O5/c1-19-4-2-5-20(12-19)14-27(32-24-10-8-22-9-11-28(34)26(22)15-24)29(35)33-25(16-31)18-38-17-21-6-3-7-23(13-21)30(36)37/h2-8,10,12-13,15,25,27,32H,9,11,14,17-18H2,1H3,(H,33,35)(H,36,37)/t25-,27+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135546
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H27N3O6/c1-18-4-2-5-19(10-18)12-26(31-23-9-8-22-16-38-29(36)25(22)13-23)27(33)32-24(14-30)17-37-15-20-6-3-7-21(11-20)28(34)35/h2-11,13,24,26,31H,12,15-17H2,1H3,(H,32,33)(H,34,35)/t24-,26+/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135532
PNG
(3-{2-cyano-2-[1-(3-methyloxycarbonylanilino)-2-(3-...)
Show SMILES COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H29N3O6/c1-19-6-3-7-20(12-19)14-26(31-24-11-5-10-23(15-24)29(36)37-2)27(33)32-25(16-30)18-38-17-21-8-4-9-22(13-21)28(34)35/h3-13,15,25-26,31H,14,17-18H2,1-2H3,(H,32,33)(H,34,35)/t25-,26+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135544
PNG
(2-Chloro-5-[(R)-2-cyano-2-((S)-2-phenylamino-3-m-t...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135547
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-3-oxo-2,3-dihydr...)
Show SMILES CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H30N4O5/c1-19-5-3-6-20(11-19)13-27(32-24-10-9-23-16-34(2)29(36)26(23)14-24)28(35)33-25(15-31)18-39-17-21-7-4-8-22(12-21)30(37)38/h3-12,14,25,27,32H,13,16-18H2,1-2H3,(H,33,35)(H,37,38)/t25-,27+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135534
PNG
(5-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26FN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135545
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(3-methanesulfonyl-phenyla...)
Show SMILES Cc1cccc(C[C@H](Nc2cccc(c2)S(C)(=O)=O)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H29N3O6S/c1-19-6-3-7-20(12-19)14-26(30-23-10-5-11-25(15-23)38(2,35)36)27(32)31-24(16-29)18-37-17-21-8-4-9-22(13-21)28(33)34/h3-13,15,24,26,30H,14,17-18H2,1-2H3,(H,31,32)(H,33,34)/t24-,26+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135548
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C27H27N7O2/c1-20-7-5-8-21(13-20)15-26(30-23-10-3-2-4-11-23)27(35)31-24(16-28)18-36-17-22-9-6-12-25(14-22)34-19-29-32-33-34/h2-14,19,24,26,30H,15,17-18H2,1H3,(H,31,35)/t24-,26+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135536
PNG
(3-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-7-5-8-20(13-19)15-25(29-23-11-3-2-4-12-23)26(31)30-24(16-28)18-34-17-21-9-6-10-22(14-21)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135542
PNG
((S)-N-((R)-Benzyloxymethyl-cyano-methyl)-2-phenyla...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H27N3O2/c1-20-9-8-12-22(15-20)16-25(28-23-13-6-3-7-14-23)26(30)29-24(17-27)19-31-18-21-10-4-2-5-11-21/h2-15,24-25,28H,16,18-19H2,1H3,(H,29,30)/t24-,25+/m1/s1
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n/an/a 194n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135532
PNG
(3-{2-cyano-2-[1-(3-methyloxycarbonylanilino)-2-(3-...)
Show SMILES COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H29N3O6/c1-19-6-3-7-20(12-19)14-26(31-24-11-5-10-23(15-24)29(36)37-2)27(33)32-25(16-30)18-38-17-21-8-4-9-22(13-21)28(34)35/h3-13,15,25-26,31H,14,17-18H2,1-2H3,(H,32,33)(H,34,35)/t25-,26+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135542
PNG
((S)-N-((R)-Benzyloxymethyl-cyano-methyl)-2-phenyla...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H27N3O2/c1-20-9-8-12-22(15-20)16-25(28-23-13-6-3-7-14-23)26(30)29-24(17-27)19-31-18-21-10-4-2-5-11-21/h2-15,24-25,28H,16,18-19H2,1H3,(H,29,30)/t24-,25+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135540
PNG
(4-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-6-5-7-21(14-19)15-25(29-23-8-3-2-4-9-23)26(31)30-24(16-28)18-34-17-20-10-12-22(13-11-20)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 282n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135535
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C31H31N3O6/c1-19-6-4-7-20(12-19)14-27(33-23-10-11-26-25(15-23)30(38)40-31(26,2)3)28(35)34-24(16-32)18-39-17-21-8-5-9-22(13-21)29(36)37/h4-13,15,24,27,33H,14,17-18H2,1-3H3,(H,34,35)(H,36,37)/t24-,27+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135532
PNG
(3-{2-cyano-2-[1-(3-methyloxycarbonylanilino)-2-(3-...)
Show SMILES COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H29N3O6/c1-19-6-3-7-20(12-19)14-26(31-24-11-5-10-23(15-24)29(36)37-2)27(33)32-25(16-30)18-38-17-21-8-4-9-22(13-21)28(34)35/h3-13,15,25-26,31H,14,17-18H2,1-2H3,(H,32,33)(H,34,35)/t25-,26+/m1/s1
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n/an/a 710n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135535
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C31H31N3O6/c1-19-6-4-7-20(12-19)14-27(33-23-10-11-26-25(15-23)30(38)40-31(26,2)3)28(35)34-24(16-32)18-39-17-21-8-5-9-22(13-21)29(36)37/h4-13,15,24,27,33H,14,17-18H2,1-3H3,(H,34,35)(H,36,37)/t24-,27+/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135539
PNG
(3-[(R)-2-Cyano-2-((S)-3-phenyl-2-phenylamino-propi...)
Show SMILES OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H25N3O4/c27-16-23(18-33-17-20-10-7-11-21(14-20)26(31)32)29-25(30)24(15-19-8-3-1-4-9-19)28-22-12-5-2-6-13-22/h1-14,23-24,28H,15,17-18H2,(H,29,30)(H,31,32)/t23-,24+/m1/s1
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n/an/a 832n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135547
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-3-oxo-2,3-dihydr...)
Show SMILES CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H30N4O5/c1-19-5-3-6-20(11-19)13-27(32-24-10-9-23-16-34(2)29(36)26(23)14-24)28(35)33-25(15-31)18-39-17-21-7-4-8-22(12-21)30(37)38/h3-12,14,25,27,32H,13,16-18H2,1-2H3,(H,33,35)(H,37,38)/t25-,27+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135547
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-3-oxo-2,3-dihydr...)
Show SMILES CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H30N4O5/c1-19-5-3-6-20(11-19)13-27(32-24-10-9-23-16-34(2)29(36)26(23)14-24)28(35)33-25(15-31)18-39-17-21-7-4-8-22(12-21)30(37)38/h3-12,14,25,27,32H,13,16-18H2,1-2H3,(H,33,35)(H,37,38)/t25-,27+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135543
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-1,3-dioxo-2,3-di...)
Show SMILES CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H28N4O6/c1-18-5-3-6-19(11-18)13-26(32-22-9-10-24-25(14-22)29(37)34(2)28(24)36)27(35)33-23(15-31)17-40-16-20-7-4-8-21(12-20)30(38)39/h3-12,14,23,26,32H,13,16-17H2,1-2H3,(H,33,35)(H,38,39)/t23-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135541
PNG
(5-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H26FN3O6/c1-17-3-2-4-18(9-17)11-26(32-21-7-6-20-15-39-29(37)23(20)12-21)27(34)33-22(13-31)16-38-14-19-5-8-25(30)24(10-19)28(35)36/h2-10,12,22,26,32H,11,14-16H2,1H3,(H,33,34)(H,35,36)/t22-,26+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135533
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C29H27N7O4/c1-19-4-2-5-20(10-19)12-27(32-23-9-8-22-16-40-29(38)26(22)13-23)28(37)33-24(14-30)17-39-15-21-6-3-7-25(11-21)36-18-31-34-35-36/h2-11,13,18,24,27,32H,12,15-17H2,1H3,(H,33,37)/t24-,27+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135543
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2-methyl-1,3-dioxo-2,3-di...)
Show SMILES CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Show InChI InChI=1S/C30H28N4O6/c1-18-5-3-6-19(11-18)13-26(32-22-9-10-24-25(14-22)29(37)34(2)28(24)36)27(35)33-23(15-31)17-40-16-20-7-4-8-21(12-20)30(38)39/h3-12,14,23,26,32H,13,16-17H2,1-2H3,(H,33,35)(H,38,39)/t23-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50135538
PNG
((S)-N-[(R)-Cyano-(3-hydroxy-benzyloxymethyl)-methy...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(O)c2)C#N)c1
Show InChI InChI=1S/C26H27N3O3/c1-19-7-5-8-20(13-19)15-25(28-22-10-3-2-4-11-22)26(31)29-23(16-27)18-32-17-21-9-6-12-24(30)14-21/h2-14,23,25,28,30H,15,17-18H2,1H3,(H,29,31)/t23-,25+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin B (catB)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135541
PNG
(5-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenz...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H26FN3O6/c1-17-3-2-4-18(9-17)11-26(32-21-7-6-20-15-39-29(37)23(20)12-21)27(34)33-22(13-31)16-38-14-19-5-8-25(30)24(10-19)28(35)36/h2-10,12,22,26,32H,11,14-16H2,1H3,(H,33,34)(H,35,36)/t22-,26+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135542
PNG
((S)-N-((R)-Benzyloxymethyl-cyano-methyl)-2-phenyla...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H27N3O2/c1-20-9-8-12-22(15-20)16-25(28-23-13-6-3-7-14-23)26(30)29-24(17-27)19-31-18-21-10-4-2-5-11-21/h2-15,24-25,28H,16,18-19H2,1H3,(H,29,30)/t24-,25+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135544
PNG
(2-Chloro-5-[(R)-2-cyano-2-((S)-2-phenylamino-3-m-t...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135534
PNG
(5-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26FN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135534
PNG
(5-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26FN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135544
PNG
(2-Chloro-5-[(R)-2-cyano-2-((S)-2-phenylamino-3-m-t...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-18-6-5-7-19(12-18)14-25(30-21-8-3-2-4-9-21)26(32)31-22(15-29)17-35-16-20-10-11-24(28)23(13-20)27(33)34/h2-13,22,25,30H,14,16-17H2,1H3,(H,31,32)(H,33,34)/t22-,25+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135536
PNG
(3-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-7-5-8-20(13-19)15-25(29-23-11-3-2-4-12-23)26(31)30-24(16-28)18-34-17-21-9-6-10-22(14-21)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135536
PNG
(3-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-7-5-8-20(13-19)15-25(29-23-11-3-2-4-12-23)26(31)30-24(16-28)18-34-17-21-9-6-10-22(14-21)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135533
PNG
((S)-N-[(R)-Cyano-(3-tetrazol-1-yl-benzyloxymethyl)...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Show InChI InChI=1S/C29H27N7O4/c1-19-4-2-5-20(10-19)12-27(32-23-9-8-22-16-40-29(38)26(22)13-23)28(37)33-24(14-30)17-39-15-21-6-3-7-25(11-21)36-18-31-34-35-36/h2-11,13,18,24,27,32H,12,15-17H2,1H3,(H,33,37)/t24-,27+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135539
PNG
(3-[(R)-2-Cyano-2-((S)-3-phenyl-2-phenylamino-propi...)
Show SMILES OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H25N3O4/c27-16-23(18-33-17-20-10-7-11-21(14-20)26(31)32)29-25(30)24(15-19-8-3-1-4-9-19)28-22-12-5-2-6-13-22/h1-14,23-24,28H,15,17-18H2,(H,29,30)(H,31,32)/t23-,24+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135540
PNG
(4-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-6-5-7-21(14-19)15-25(29-23-8-3-2-4-9-23)26(31)30-24(16-28)18-34-17-20-10-12-22(13-11-20)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50135540
PNG
(4-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-6-5-7-21(14-19)15-25(29-23-8-3-2-4-9-23)26(31)30-24(16-28)18-34-17-20-10-12-22(13-11-20)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50135539
PNG
(3-[(R)-2-Cyano-2-((S)-3-phenyl-2-phenylamino-propi...)
Show SMILES OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H25N3O4/c27-16-23(18-33-17-20-10-7-11-21(14-20)26(31)32)29-25(30)24(15-19-8-3-1-4-9-19)28-22-12-5-2-6-13-22/h1-14,23-24,28H,15,17-18H2,(H,29,30)(H,31,32)/t23-,24+/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin L (catL)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair