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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'wigg' and Initial = 'am'   
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))
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107639
PNG
(3-{2-[2-(4-Chloro-2-fluoro-benzoylamino)-3-m-tolyl...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H25ClFN3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
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))
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
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))
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))
BDBM50107646
PNG
(3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CC#Cc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C36H31N3O4/c1-25-11-8-14-27(21-25)23-32(39-35(41)33(28-15-4-2-5-16-28)29-17-6-3-7-18-29)34(40)38-31(24-37)20-10-13-26-12-9-19-30(22-26)36(42)43/h2-9,11-12,14-19,21-22,31-33H,20,23H2,1H3,(H,38,40)(H,39,41)(H,42,43)/t31-,32-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50107623
PNG
(CHEMBL140756 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin L (cat L) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
BDBM50107626
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H25F2N3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
BDBM50107620
PNG
(3-[2-(2-Benzoylamino-3-m-tolyl-propionylamino)-2-c...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C28H27N3O5/c1-19-7-5-8-20(13-19)15-25(31-26(32)22-10-3-2-4-11-22)27(33)30-24(16-29)18-36-17-21-9-6-12-23(14-21)28(34)35/h2-14,24-25H,15,17-18H2,1H3,(H,30,33)(H,31,32)(H,34,35)/t24-,25+/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107638
PNG
(CHEMBL336436 | N-(Benzyloxymethyl-cyano-methyl)-2-...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C34H33N3O3/c1-25-12-11-15-27(20-25)21-31(33(38)36-30(22-35)24-40-23-26-13-5-2-6-14-26)37-34(39)32(28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-20,30-32H,21,23-24H2,1H3,(H,36,38)(H,37,39)/t30-,31+/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107650
PNG
(CHEMBL138661 | N-Cyanomethyl-3-(3,5-dimethyl-pheny...)
Show SMILES Cc1cc(C)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1
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n/an/a 11.9n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
BDBM50107647
PNG
(CHEMBL140506 | N-{1-[(Benzyloxymethyl-cyano-methyl...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-18-6-5-9-20(12-18)13-25(32-26(33)23-11-10-21(28)14-24(23)29)27(34)31-22(15-30)17-35-16-19-7-3-2-4-8-19/h2-12,14,22,25H,13,16-17H2,1H3,(H,31,34)(H,32,33)/t22-,25+/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
BDBM50107630
PNG
(3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C36H35N3O4/c1-25-11-8-14-27(21-25)23-32(39-35(41)33(28-15-4-2-5-16-28)29-17-6-3-7-18-29)34(40)38-31(24-37)20-10-13-26-12-9-19-30(22-26)36(42)43/h2-9,11-12,14-19,21-22,31-33H,10,13,20,23H2,1H3,(H,38,40)(H,39,41)(H,42,43)/t31-,32-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin L (cat L) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107628
PNG
(CHEMBL343423 | N-[Cyano-(3-hydroxymethyl-benzyloxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(CO)c2)C#N)c1
Show InChI InChI=1S/C35H35N3O4/c1-25-10-8-11-26(18-25)20-32(34(40)37-31(21-36)24-42-23-28-13-9-12-27(19-28)22-39)38-35(41)33(29-14-4-2-5-15-29)30-16-6-3-7-17-30/h2-19,31-33,39H,20,22-24H2,1H3,(H,37,40)(H,38,41)/t31-,32+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107621
PNG
(4-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-9-8-10-26(19-24)20-31(38-34(40)32(27-11-4-2-5-12-27)28-13-6-3-7-14-28)33(39)37-30(21-36)23-43-22-25-15-17-29(18-16-25)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 30.7n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50107622
PNG
(CHEMBL342145 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-16-17-27-24(29)22(18-19-10-4-1-5-11-19)28-25(30)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23H,17-18H2,(H,27,29)(H,28,30)/t22-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin L (cat L) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107625
PNG
(3,4-Dichloro-N-[1-(cyanomethyl-carbamoyl)-2-m-toly...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)NCC#N)c1
Show InChI InChI=1S/C19H17Cl2N3O2/c1-12-3-2-4-13(9-12)10-17(19(26)23-8-7-22)24-18(25)14-5-6-15(20)16(21)11-14/h2-6,9,11,17H,8,10H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1
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n/an/a 31.3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107629
PNG
(3-[2-Cyano-2-(2-pentanoylamino-3-m-tolyl-propionyl...)
Show SMILES CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](COCc1cccc(c1)C(O)=O)C#N
Show InChI InChI=1S/C26H31N3O5/c1-3-4-11-24(30)29-23(14-19-8-5-7-18(2)12-19)25(31)28-22(15-27)17-34-16-20-9-6-10-21(13-20)26(32)33/h5-10,12-13,22-23H,3-4,11,14,16-17H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1
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n/an/a 35.7n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107634
PNG
(CHEMBL140606 | N-{1-[(Benzyloxymethyl-cyano-methyl...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C27H25F2N3O3/c1-18-6-5-9-20(12-18)13-25(32-26(33)23-11-10-21(28)14-24(23)29)27(34)31-22(15-30)17-35-16-19-7-3-2-4-8-19/h2-12,14,22,25H,13,16-17H2,1H3,(H,31,34)(H,32,33)/t22-,25+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107623
PNG
(CHEMBL140756 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50107633
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin S (cat S) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107631
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES COC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)C#N)c1
Show InChI InChI=1S/C36H35N3O5/c1-25-11-9-12-26(19-25)21-32(39-35(41)33(28-14-5-3-6-15-28)29-16-7-4-8-17-29)34(40)38-31(22-37)24-44-23-27-13-10-18-30(20-27)36(42)43-2/h3-20,31-33H,21,23-24H2,1-2H3,(H,38,40)(H,39,41)/t31-,32+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50107622
PNG
(CHEMBL342145 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-16-17-27-24(29)22(18-19-10-4-1-5-11-19)28-25(30)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23H,17-18H2,(H,27,29)(H,28,30)/t22-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin S (cat S) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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))
BDBM50107641
PNG
(4-Chloro-N-[1-(cyanomethyl-carbamoyl)-2-m-tolyl-et...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)NCC#N)c1
Show InChI InChI=1S/C19H17ClFN3O2/c1-12-3-2-4-13(9-12)10-17(19(26)23-8-7-22)24-18(25)15-6-5-14(20)11-16(15)21/h2-6,9,11,17H,8,10H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107623
PNG
(CHEMBL140756 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50107623
PNG
(CHEMBL140756 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin S (cat S) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107644
PNG
(3-{4-Cyano-4-[2-(2,4-difluoro-benzoylamino)-3-m-to...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](CCCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C29H27F2N3O4/c1-18-5-2-8-20(13-18)15-26(34-27(35)24-12-11-22(30)16-25(24)31)28(36)33-23(17-32)10-4-7-19-6-3-9-21(14-19)29(37)38/h2-3,5-6,8-9,11-14,16,23,26H,4,7,10,15H2,1H3,(H,33,36)(H,34,35)(H,37,38)/t23-,26-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107627
PNG
(CHEMBL139132 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES Ic1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C25H22IN3O2/c26-21-13-7-8-18(16-21)17-22(24(30)28-15-14-27)29-25(31)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22-23H,15,17H2,(H,28,30)(H,29,31)/t22-/m0/s1
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n/an/a 121n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107636
PNG
(3-(3-Chloro-phenyl)-N-cyanomethyl-2-diphenylacetyl...)
Show SMILES Clc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C25H22ClN3O2/c26-21-13-7-8-18(16-21)17-22(24(30)28-15-14-27)29-25(31)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22-23H,15,17H2,(H,28,30)(H,29,31)/t22-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107632
PNG
(CHEMBL423923 | N-Cyanomethyl-2-diphenylacetylamino...)
Show SMILES CCc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-2-20-10-9-11-21(18-20)19-24(26(31)29-17-16-28)30-27(32)25(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-15,18,24-25H,2,17,19H2,1H3,(H,29,31)(H,30,32)/t24-/m0/s1
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n/an/a 136n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107649
PNG
(3-[3-Cyano-3-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCOc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(20-24)21-31(38-34(40)32(26-12-4-2-5-13-26)27-14-6-3-7-15-27)33(39)37-29(23-36)18-19-43-30-17-9-16-28(22-30)35(41)42/h2-17,20,22,29,31-32H,18-19,21H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t29-,31-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50107635
PNG
(CHEMBL140794 | N-Cyanomethyl-3-phenyl-2-phenylacet...)
Show SMILES O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C19H19N3O2/c20-11-12-21-19(24)17(13-15-7-3-1-4-8-15)22-18(23)14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin L (cat L) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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 S


(Homo sapiens (Human))
BDBM50107635
PNG
(CHEMBL140794 | N-Cyanomethyl-3-phenyl-2-phenylacet...)
Show SMILES O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C19H19N3O2/c20-11-12-21-19(24)17(13-15-7-3-1-4-8-15)22-18(23)14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin S (cat S) expressed in baculovirus


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
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 (B and K)


(Homo sapiens (Human))
BDBM50107637
PNG
(4-Chloro-N-[1-(cyanomethyl-carbamoyl)-2-m-tolyl-et...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-13-3-2-4-14(11-13)12-17(19(25)22-10-9-21)23-18(24)15-5-7-16(20)8-6-15/h2-8,11,17H,10,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
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n/an/a 308n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
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