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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'jones' and Initial = 'ev'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L1


(Homo sapiens (Human))
BDBM50414644
PNG
(CHEMBL555122)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C24H30N8O3/c1-24(2,3)19-14-18(32(4)31-19)22(34)28-17(21(33)27-11-10-26)13-15-6-5-7-16(12-15)23-30-29-20(35-23)8-9-25/h5-7,12,14,17H,8-9,11,13,25H2,1-4H3,(H,27,33)(H,28,34)
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n/an/a 1.26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414643
PNG
(CHEMBL557455)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-7,10,12,16H,9,11,13,25H2,1-4H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414641
PNG
(CHEMBL554065)
Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414636
PNG
(CHEMBL559880)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O2S/c21-9-10-22-19(27)17(24-18(26)15-6-2-1-3-7-15)12-14-5-4-8-16(11-14)20-25-23-13-28-20/h1-8,11,13,17H,10,12H2,(H,22,27)(H,24,26)
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n/an/a 2.51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414640
PNG
(CHEMBL562844)
Show SMILES Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O2S/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414641
PNG
(CHEMBL554065)
Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414639
PNG
(CHEMBL550872)
Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414638
PNG
(CHEMBL549378)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414639
PNG
(CHEMBL550872)
Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414642
PNG
(CHEMBL549791)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414638
PNG
(CHEMBL549378)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414642
PNG
(CHEMBL549791)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)
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n/an/a 7.94n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM31993
PNG
(Dipeptidyl nitrile inhibitor, 26)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM31992
PNG
(Dipeptidyl nitrile inhibitor, 25)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31993
PNG
(Dipeptidyl nitrile inhibitor, 26)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31992
PNG
(Dipeptidyl nitrile inhibitor, 25)
Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414638
PNG
(CHEMBL549378)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414637
PNG
(CHEMBL562915)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O3/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414629
PNG
(CHEMBL563471)
Show SMILES Cn1cc(cn1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)21-13-20(31(5)29-21)23(33)28-19(22(32)26-10-9-25)12-16-7-6-8-17(11-16)18-14-27-30(4)15-18/h6-8,11,13-15,19H,10,12H2,1-5H3,(H,26,32)(H,28,33)
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n/an/a 15.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414635
PNG
(CHEMBL564626)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1nnco1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c21-9-10-22-19(27)17(24-18(26)15-6-2-1-3-7-15)12-14-5-4-8-16(11-14)20-25-23-13-28-20/h1-8,11,13,17H,10,12H2,(H,22,27)(H,24,26)
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n/an/a 19.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414637
PNG
(CHEMBL562915)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O3/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31984
PNG
(Dipeptidyl nitrile inhibitor, 17)
Show SMILES Cc1ccc2cc(C)cc(C(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)NCC#N)c2c1 |r|
Show InChI InChI=1S/C24H22ClN3O2/c1-15-6-7-18-10-16(2)12-21(20(18)11-15)23(29)28-22(24(30)27-9-8-26)14-17-4-3-5-19(25)13-17/h3-7,10-13,22H,9,14H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414636
PNG
(CHEMBL559880)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O2S/c21-9-10-22-19(27)17(24-18(26)15-6-2-1-3-7-15)12-14-5-4-8-16(11-14)20-25-23-13-28-20/h1-8,11,13,17H,10,12H2,(H,22,27)(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414643
PNG
(CHEMBL557455)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-7,10,12,16H,9,11,13,25H2,1-4H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31980
PNG
(Dipeptidyl nitrile inhibitor, 13)
Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31990
PNG
(Dipeptidyl nitrile inhibitor, 23)
Show SMILES CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
Show InChI InChI=1S/C18H20ClN5O2/c1-3-14-11-16(24(2)23-14)18(26)22-15(17(25)21-8-7-20)10-12-5-4-6-13(19)9-12/h4-6,9,11,15H,3,8,10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414637
PNG
(CHEMBL562915)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O3/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414639
PNG
(CHEMBL550872)
Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414644
PNG
(CHEMBL555122)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C24H30N8O3/c1-24(2,3)19-14-18(32(4)31-19)22(34)28-17(21(33)27-11-10-26)13-15-6-5-7-16(12-15)23-30-29-20(35-23)8-9-25/h5-7,12,14,17H,8-9,11,13,25H2,1-4H3,(H,27,33)(H,28,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414642
PNG
(CHEMBL549791)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31978
PNG
(Dipeptidyl nitrile inhibitor, 11)
Show SMILES Cc1ccc(C)c(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-13-6-7-14(2)17(10-13)19(25)24-18(20(26)23-9-8-22)12-15-4-3-5-16(21)11-15/h3-7,10-11,18H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31991
PNG
(Dipeptidyl nitrile inhibitor, 24)
Show SMILES CC(C)c1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
Show InChI InChI=1S/C19H22ClN5O2/c1-12(2)15-11-17(25(3)24-15)19(27)23-16(18(26)22-8-7-21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,16H,8,10H2,1-3H3,(H,22,26)(H,23,27)/t16-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31989
PNG
(Dipeptidyl nitrile inhibitor, 22)
Show SMILES Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)s1 |r|
Show InChI InChI=1S/C18H18ClN3O2S/c1-11-8-15(12(2)25-11)17(23)22-16(18(24)21-7-6-20)10-13-4-3-5-14(19)9-13/h3-5,8-9,16H,7,10H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31977
PNG
(Dipeptidyl nitrile inhibitor, 10)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414641
PNG
(CHEMBL554065)
Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414630
PNG
(CHEMBL561802)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cn[nH]c1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H19N5O2/c22-9-10-23-21(28)19(26-20(27)16-6-2-1-3-7-16)12-15-5-4-8-17(11-15)18-13-24-25-14-18/h1-8,11,13-14,19H,10,12H2,(H,23,28)(H,24,25)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414639
PNG
(CHEMBL550872)
Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414624
PNG
(CHEMBL560736)
Show SMILES Cn1cc(cn1)-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C22H21N5O2/c1-27-15-19(14-25-27)18-9-5-6-16(12-18)13-20(22(29)24-11-10-23)26-21(28)17-7-3-2-4-8-17/h2-9,12,14-15,20H,11,13H2,1H3,(H,24,29)(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L


(Homo sapiens (Human))
BDBM31983
PNG
(Dipeptidyl nitrile inhibitor, 16)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccnc3ccccc23)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C21H17ClN4O2/c22-15-5-3-4-14(12-15)13-19(21(28)25-11-9-23)26-20(27)17-8-10-24-18-7-2-1-6-16(17)18/h1-8,10,12,19H,11,13H2,(H,25,28)(H,26,27)/t19-/m0/s1
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n/an/a 100n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414642
PNG
(CHEMBL549791)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50414644
PNG
(CHEMBL555122)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C24H30N8O3/c1-24(2,3)19-14-18(32(4)31-19)22(34)28-17(21(33)27-11-10-26)13-15-6-5-7-16(12-15)23-30-29-20(35-23)8-9-25/h5-7,12,14,17H,8-9,11,13,25H2,1-4H3,(H,27,33)(H,28,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414627
PNG
(CHEMBL550059)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C23H20N4O2/c24-11-13-26-23(29)21(27-22(28)18-7-2-1-3-8-18)15-17-6-4-9-19(14-17)20-10-5-12-25-16-20/h1-10,12,14,16,21H,13,15H2,(H,26,29)(H,27,28)
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414637
PNG
(CHEMBL562915)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O3/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM31970
PNG
(Dipeptidyl nitrile inhibitor, 1)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414641
PNG
(CHEMBL554065)
Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414638
PNG
(CHEMBL549378)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50414640
PNG
(CHEMBL562844)
Show SMILES Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O2S/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM31970
PNG
(Dipeptidyl nitrile inhibitor, 1)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
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