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PubMed code 15982880

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
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 K


(Homo sapiens (human))
BDBM50169493
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169495
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169495
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169488
PNG
((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin V


(Homo sapiens (human))
BDBM50169493
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169493
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169496
PNG
((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169490
PNG
((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169492
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169495
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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n/an/a 520n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169490
PNG
((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1
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n/an/a 540n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169487
PNG
(CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20?/m0/s1
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n/an/a 650n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169486
PNG
(CHEMBL188563 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H40N4O5/c1-6-8-19-24(27(36)28(37)32-21(3)22-15-11-9-12-16-22)33-30(38)39-25(31(4,5)7-2)20-26-34-35-29(40-26)23-17-13-10-14-18-23/h9-18,21,24-25H,6-8,19-20H2,1-5H3,(H,32,37)(H,33,38)/t21-,24+,25-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169496
PNG
((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169487
PNG
(CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20?/m0/s1
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n/an/a 810n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169481
PNG
(CHEMBL189604 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H36N4O5/c1-5-6-17-23(26(34)27(35)30-20(4)21-13-9-7-10-14-21)31-29(36)37-24(19(2)3)18-25-32-33-28(38-25)22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,36)/t20-,23+,24-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169488
PNG
((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169487
PNG
(CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169486
PNG
(CHEMBL188563 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H40N4O5/c1-6-8-19-24(27(36)28(37)32-21(3)22-15-11-9-12-16-22)33-30(38)39-25(31(4,5)7-2)20-26-34-35-29(40-26)23-17-13-10-14-18-23/h9-18,21,24-25H,6-8,19-20H2,1-5H3,(H,32,37)(H,33,38)/t21-,24+,25-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169492
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169496
PNG
((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169490
PNG
((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169484
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169484
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169486
PNG
(CHEMBL188563 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H40N4O5/c1-6-8-19-24(27(36)28(37)32-21(3)22-15-11-9-12-16-22)33-30(38)39-25(31(4,5)7-2)20-26-34-35-29(40-26)23-17-13-10-14-18-23/h9-18,21,24-25H,6-8,19-20H2,1-5H3,(H,32,37)(H,33,38)/t21-,24+,25-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169481
PNG
(CHEMBL189604 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H36N4O5/c1-5-6-17-23(26(34)27(35)30-20(4)21-13-9-7-10-14-21)31-29(36)37-24(19(2)3)18-25-32-33-28(38-25)22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,36)/t20-,23+,24-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169491
PNG
(CHEMBL186149 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C25H31FN6O5/c1-5-6-7-17(21(33)22(34)29-19-12-13-27-30-19)28-24(35)36-18(25(2,3)4)14-20-31-32-23(37-20)15-8-10-16(26)11-9-15/h8-13,17-18H,5-7,14H2,1-4H3,(H,28,35)(H2,27,29,30,34)/t17-,18+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169492
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169488
PNG
((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169481
PNG
(CHEMBL189604 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H36N4O5/c1-5-6-17-23(26(34)27(35)30-20(4)21-13-9-7-10-14-21)31-29(36)37-24(19(2)3)18-25-32-33-28(38-25)22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,36)/t20-,23+,24-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169489
PNG
(CHEMBL365049 | [(S)-1-(Isoxazol-5-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
Show InChI InChI=1S/C28H34F3N5O5/c1-5-6-7-22(24(37)25(38)32-16-20-12-14-33-41-20)34-26(39)40-23(27(2,3)4)17-36-15-13-21(35-36)18-8-10-19(11-9-18)28(29,30)31/h8-15,22-23H,5-7,16-17H2,1-4H3,(H,32,38)(H,34,39)/t22-,23+/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169497
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H32F3N5O4S/c1-5-6-7-19(22(36)23(37)34-24-31-12-13-40-24)33-25(38)39-21(26(2,3)4)15-35-14-20(32-16-35)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,38)(H,31,34,37)/t19-,21+/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169487
PNG
(CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20?/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169488
PNG
((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169495
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169496
PNG
((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169493
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169496
PNG
((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169484
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169487
PNG
(CHEMBL426617 | [(S)-1-((S)-2-Oxo-piperidin-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169486
PNG
(CHEMBL188563 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H40N4O5/c1-6-8-19-24(27(36)28(37)32-21(3)22-15-11-9-12-16-22)33-30(38)39-25(31(4,5)7-2)20-26-34-35-29(40-26)23-17-13-10-14-18-23/h9-18,21,24-25H,6-8,19-20H2,1-5H3,(H,32,37)(H,33,38)/t21-,24+,25-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169481
PNG
(CHEMBL189604 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H36N4O5/c1-5-6-17-23(26(34)27(35)30-20(4)21-13-9-7-10-14-21)31-29(36)37-24(19(2)3)18-25-32-33-28(38-25)22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,36)/t20-,23+,24-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169484
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169489
PNG
(CHEMBL365049 | [(S)-1-(Isoxazol-5-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
Show InChI InChI=1S/C28H34F3N5O5/c1-5-6-7-22(24(37)25(38)32-16-20-12-14-33-41-20)34-26(39)40-23(27(2,3)4)17-36-15-13-21(35-36)18-8-10-19(11-9-18)28(29,30)31/h8-15,22-23H,5-7,16-17H2,1-4H3,(H,32,38)(H,34,39)/t22-,23+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169497
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H32F3N5O4S/c1-5-6-7-19(22(36)23(37)34-24-31-12-13-40-24)33-25(38)39-21(26(2,3)4)15-35-14-20(32-16-35)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,38)(H,31,34,37)/t19-,21+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169493
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169481
PNG
(CHEMBL189604 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H36N4O5/c1-5-6-17-23(26(34)27(35)30-20(4)21-13-9-7-10-14-21)31-29(36)37-24(19(2)3)18-25-32-33-28(38-25)22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,36)/t20-,23+,24-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169492
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169483
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169497
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H32F3N5O4S/c1-5-6-7-19(22(36)23(37)34-24-31-12-13-40-24)33-25(38)39-21(26(2,3)4)15-35-14-20(32-16-35)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,38)(H,31,34,37)/t19-,21+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169495
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169489
PNG
(CHEMBL365049 | [(S)-1-(Isoxazol-5-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
Show InChI InChI=1S/C28H34F3N5O5/c1-5-6-7-22(24(37)25(38)32-16-20-12-14-33-41-20)34-26(39)40-23(27(2,3)4)17-36-15-13-21(35-36)18-8-10-19(11-9-18)28(29,30)31/h8-15,22-23H,5-7,16-17H2,1-4H3,(H,32,38)(H,34,39)/t22-,23+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169490
PNG
((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169486
PNG
(CHEMBL188563 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H40N4O5/c1-6-8-19-24(27(36)28(37)32-21(3)22-15-11-9-12-16-22)33-30(38)39-25(31(4,5)7-2)20-26-34-35-29(40-26)23-17-13-10-14-18-23/h9-18,21,24-25H,6-8,19-20H2,1-5H3,(H,32,37)(H,33,38)/t21-,24+,25-/m1/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169490
PNG
((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169482
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50169491
PNG
(CHEMBL186149 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C25H31FN6O5/c1-5-6-7-17(21(33)22(34)29-19-12-13-27-30-19)28-24(35)36-18(25(2,3)4)14-20-31-32-23(37-20)15-8-10-16(26)11-9-15/h8-13,17-18H,5-7,14H2,1-4H3,(H,28,35)(H2,27,29,30,34)/t17-,18+/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169484
PNG
((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169488
PNG
((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169492
PNG
((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50169491
PNG
(CHEMBL186149 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C25H31FN6O5/c1-5-6-7-17(21(33)22(34)29-19-12-13-27-30-19)28-24(35)36-18(25(2,3)4)14-20-31-32-23(37-20)15-8-10-16(26)11-9-15/h8-13,17-18H,5-7,14H2,1-4H3,(H,28,35)(H2,27,29,30,34)/t17-,18+/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169485
PNG
(CHEMBL188929 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C29H34F3N5O4/c1-5-6-9-22(25(38)26(39)35-24-10-7-8-16-33-24)34-27(40)41-23(28(2,3)4)18-37-17-15-21(36-37)19-11-13-20(14-12-19)29(30,31)32/h7-8,10-17,22-23H,5-6,9,18H2,1-4H3,(H,34,40)(H,33,35,39)/t22-,23+/m0/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50169494
PNG
((S)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24+/m1/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169489
PNG
(CHEMBL365049 | [(S)-1-(Isoxazol-5-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
Show InChI InChI=1S/C28H34F3N5O5/c1-5-6-7-22(24(37)25(38)32-16-20-12-14-33-41-20)34-26(39)40-23(27(2,3)4)17-36-15-13-21(35-36)18-8-10-19(11-9-18)28(29,30)31/h8-15,22-23H,5-7,16-17H2,1-4H3,(H,32,38)(H,34,39)/t22-,23+/m0/s1
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n/an/a 8.70E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169497
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H32F3N5O4S/c1-5-6-7-19(22(36)23(37)34-24-31-12-13-40-24)33-25(38)39-21(26(2,3)4)15-35-14-20(32-16-35)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,38)(H,31,34,37)/t19-,21+/m0/s1
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n/an/a 8.70E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169489
PNG
(CHEMBL365049 | [(S)-1-(Isoxazol-5-ylmethyl)-aminoo...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
Show InChI InChI=1S/C28H34F3N5O5/c1-5-6-7-22(24(37)25(38)32-16-20-12-14-33-41-20)34-26(39)40-23(27(2,3)4)17-36-15-13-21(35-36)18-8-10-19(11-9-18)28(29,30)31/h8-15,22-23H,5-7,16-17H2,1-4H3,(H,32,38)(H,34,39)/t22-,23+/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169497
PNG
((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H32F3N5O4S/c1-5-6-7-19(22(36)23(37)34-24-31-12-13-40-24)33-25(38)39-21(26(2,3)4)15-35-14-20(32-16-35)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,38)(H,31,34,37)/t19-,21+/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50169491
PNG
(CHEMBL186149 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C25H31FN6O5/c1-5-6-7-17(21(33)22(34)29-19-12-13-27-30-19)28-24(35)36-18(25(2,3)4)14-20-31-32-23(37-20)15-8-10-16(26)11-9-15/h8-13,17-18H,5-7,14H2,1-4H3,(H,28,35)(H2,27,29,30,34)/t17-,18+/m0/s1
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n/an/a 3.50E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50169491
PNG
(CHEMBL186149 | [(S)-1-(2H-Pyrazol-3-ylaminooxalyl)...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C25H31FN6O5/c1-5-6-7-17(21(33)22(34)29-19-12-13-27-30-19)28-24(35)36-18(25(2,3)4)14-20-31-32-23(37-20)15-8-10-16(26)11-9-15/h8-13,17-18H,5-7,14H2,1-4H3,(H,28,35)(H2,27,29,30,34)/t17-,18+/m0/s1
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n/an/a 3.80E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc


Bioorg Med Chem Lett 15: 3540-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.062
BindingDB Entry DOI: 10.7270/Q2FQ9W59
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%