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PubMed code 16290936

Compile data set for download or QSAR
Found 69 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))
BDBM50177501
PNG
(CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (human))
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (human))
BDBM50177494
PNG
(CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1
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n/an/a 0.940n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177503
PNG
(CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148296
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM50177501
PNG
(CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177501
PNG
(CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177512
PNG
(CHEMBL438798 | {(S)-1-[(2,2,2-trifluoro-acetyl)-hy...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)C(F)(F)F
Show InChI InChI=1S/C13H22F3N3O3/c1-5-6-7-9(18-11(21)22-12(2,3)4)8-17-19-10(20)13(14,15)16/h8-9H,5-7H2,1-4H3,(H,18,21)(H,19,20)/t9-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50137822
PNG
(((S)-1-Formyl-3-methyl-butyl)-carbamic acid tert-b...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177491
PNG
(CHEMBL205173 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C16H30N4O4/c1-5-6-7-13(18-15(22)24-16(2,3)4)12-17-19-14(21)20-8-10-23-11-9-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177489
PNG
(CHEMBL204103 | {(S)-1-[(pyrrolidine-1-carbonyl)-hy...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCCC1
Show InChI InChI=1S/C16H30N4O3/c1-5-6-9-13(18-15(22)23-16(2,3)4)12-17-19-14(21)20-10-7-8-11-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50148296
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177511
PNG
(CHEMBL204102 | tert-butyl N-[(1E,2S)-1-{[(diethylc...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(CC)CC
Show InChI InChI=1S/C16H32N4O3/c1-7-10-11-13(18-15(22)23-16(4,5)6)12-17-19-14(21)20(8-2)9-3/h12-13H,7-11H2,1-6H3,(H,18,22)(H,19,21)/t13-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177517
PNG
(CHEMBL205062 | tert-butyl N-[(1E,2S)-1-({[methyl(2...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(C)CCc1ccccc1
Show InChI InChI=1S/C21H34N4O3/c1-6-7-13-18(23-20(27)28-21(2,3)4)16-22-24-19(26)25(5)15-14-17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3,(H,23,27)(H,24,26)/t18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177495
PNG
(CHEMBL381715 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C20H30N4O3/c1-5-6-10-16(22-19(26)27-20(2,3)4)14-21-23-18(25)24-13-12-15-9-7-8-11-17(15)24/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,22,26)(H,23,25)/t16-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50137790
PNG
(((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177496
PNG
(CHEMBL383002 | {(S)-1-[(piperidine-1-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCCCC1
Show InChI InChI=1S/C17H32N4O3/c1-5-6-10-14(19-16(23)24-17(2,3)4)13-18-20-15(22)21-11-8-7-9-12-21/h13-14H,5-12H2,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177506
PNG
(CHEMBL204133 | {(S)-1-[(3,4-dihydro-2H-quinoline-1...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCCc2ccccc12
Show InChI InChI=1S/C21H32N4O3/c1-5-6-12-17(23-20(27)28-21(2,3)4)15-22-24-19(26)25-14-9-11-16-10-7-8-13-18(16)25/h7-8,10,13,15,17H,5-6,9,11-12,14H2,1-4H3,(H,23,27)(H,24,26)/t17-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177521
PNG
(CHEMBL203501 | tert-butyl (1S)-1-({[(dimethylamino...)
Show SMILES CCCC[C@@H](CN=NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C13H28N4O4S/c1-7-8-9-11(15-12(18)21-13(2,3)4)10-14-16-22(19,20)17(5)6/h11H,7-10H2,1-6H3,(H,15,18)/t11-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177513
PNG
(CHEMBL425042 | tert-butyl (1S)-1-({[(dimethylamino...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N(C)C
Show InChI InChI=1S/C14H28N4O3/c1-7-8-9-11(10-15-17-12(19)18(5)6)16-13(20)21-14(2,3)4/h10-11H,7-9H2,1-6H3,(H,16,20)(H,17,19)/t11-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177502
PNG
(CHEMBL203766 | {(S)-1-[(3,4-dihydro-1H-isoquinolin...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H32N4O3/c1-5-6-11-18(23-20(27)28-21(2,3)4)14-22-24-19(26)25-13-12-16-9-7-8-10-17(16)15-25/h7-10,14,18H,5-6,11-13,15H2,1-4H3,(H,23,27)(H,24,26)/t18-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177509
PNG
(CHEMBL382947 | {(S)-3-methyl-1-[(morpholine-4-carb...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C16H30N4O4/c1-12(2)10-13(18-15(22)24-16(3,4)5)11-17-19-14(21)20-6-8-23-9-7-20/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,21)/t13-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177516
PNG
(CHEMBL380636 | N'-[(S)-2-tert-butoxycarbonylamino-...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)OC(C)C
Show InChI InChI=1S/C15H29N3O4/c1-7-8-9-12(17-13(19)22-15(4,5)6)10-16-18-14(20)21-11(2)3/h10-12H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t12-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50177494
PNG
(CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat cathepsin K


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177497
PNG
(CHEMBL369961 | tert-butyl N-[(1E,2S)-1-{[(tert-but...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC(C)(C)C
Show InChI InChI=1S/C16H32N4O3/c1-8-9-10-12(18-14(22)23-16(5,6)7)11-17-20-13(21)19-15(2,3)4/h11-12H,8-10H2,1-7H3,(H,18,22)(H2,19,20,21)/t12-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177514
PNG
(CHEMBL204451 | tert-butyl N-[(1E,2S)-1-{[N-(propan...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=S)NC(C)C
Show InChI InChI=1S/C15H30N4O2S/c1-7-8-9-12(18-14(20)21-15(4,5)6)10-16-19-13(22)17-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,20)(H2,17,19,22)/t12-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177488
PNG
(CHEMBL380659 | tert-butyl N-[(1E,2S)-1-({[(propan-...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC(C)C
Show InChI InChI=1S/C15H30N4O3/c1-7-8-9-12(18-14(21)22-15(4,5)6)10-16-19-13(20)17-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,21)(H2,17,19,20)/t12-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177492
PNG
(CHEMBL204197 | methyl (2-{(2S)-2-[(tert-butoxycarb...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC(=O)OC
Show InChI InChI=1S/C14H26N4O5/c1-6-7-8-10(16-13(21)23-14(2,3)4)9-15-18-11(19)17-12(20)22-5/h9-10H,6-8H2,1-5H3,(H,16,21)(H2,17,18,19,20)/t10-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50177501
PNG
(CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177508
PNG
(CHEMBL204448 | {(S)-1-[(3-methyl-butyryl)-hydrazon...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)CC(C)C
Show InChI InChI=1S/C16H31N3O3/c1-7-8-9-13(18-15(21)22-16(4,5)6)11-17-19-14(20)10-12(2)3/h11-13H,7-10H2,1-6H3,(H,18,21)(H,19,20)/t13-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177520
PNG
(CHEMBL204913 | [(S)-1-(benzoyl-hydrazonomethyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)c1ccccc1
Show InChI InChI=1S/C18H27N3O3/c1-5-6-12-15(20-17(23)24-18(2,3)4)13-19-21-16(22)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H,20,23)(H,21,22)/t15-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50177494
PNG
(CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177493
PNG
(CHEMBL383206 | tert-butyl N-[(1E,2S)-1-({[(2-pheny...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H32N4O3/c1-5-6-12-17(23-19(26)27-20(2,3)4)15-22-24-18(25)21-14-13-16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3,(H,23,26)(H2,21,24,25)/t17-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177494
PNG
(CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177523
PNG
(CHEMBL381047 | tert-butyl (1S)-1-({[(methylamino)c...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NC
Show InChI InChI=1S/C13H26N4O3/c1-6-7-8-10(9-15-17-11(18)14-5)16-12(19)20-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,19)(H2,14,17,18)/t10-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177498
PNG
(CHEMBL204123 | tert-butyl (1S)-1-{[(aminocarbonyl)...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(N)=O
Show InChI InChI=1S/C12H24N4O3/c1-5-6-7-9(8-14-16-10(13)17)15-11(18)19-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,18)(H3,13,16,17)/t9-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177510
PNG
(CHEMBL204079 | tert-butyl N-[(1E,2S)-1-{[(phenylca...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N4O3/c1-5-6-10-15(21-17(24)25-18(2,3)4)13-19-22-16(23)20-14-11-8-7-9-12-14/h7-9,11-13,15H,5-6,10H2,1-4H3,(H,21,24)(H2,20,22,23)/t15-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177505
PNG
(CHEMBL204592 | tert-butyl N-[(1E,2S)-1-{[(benzylca...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCc1ccccc1
Show InChI InChI=1S/C19H30N4O3/c1-5-6-12-16(22-18(25)26-19(2,3)4)14-21-23-17(24)20-13-15-10-8-7-9-11-15/h7-11,14,16H,5-6,12-13H2,1-4H3,(H,22,25)(H2,20,23,24)/t16-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50148296
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177499
PNG
(CHEMBL204907 | ethyl 3-({N'-[(1E,2S)-2-{[(tert-but...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCCC(=O)OCC
Show InChI InChI=1S/C17H32N4O5/c1-6-8-9-13(20-16(24)26-17(3,4)5)12-19-21-15(23)18-11-10-14(22)25-7-2/h12-13H,6-11H2,1-5H3,(H,20,24)(H2,18,21,23)/t13-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177522
PNG
(CHEMBL204305 | {(S)-1-[(4,5-dihydro-thiazol-3-yl)-...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN[N+]1=CSCC1
Show InChI InChI=1S/C14H26N4O2S/c1-5-6-7-12(16-13(19)20-14(2,3)4)10-15-17-18-8-9-21-11-18/h10-12,17H,5-9H2,1-4H3/p+1/t12-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177500
PNG
(CHEMBL381837 | tert-butyl (1S)-1-({[(ethylamino)ca...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCC
Show InChI InChI=1S/C14H28N4O3/c1-6-8-9-11(10-16-18-12(19)15-7-2)17-13(20)21-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,20)(H2,15,18,19)/t11-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177507
PNG
(CHEMBL205071 | ethyl 2-({N'-[(1E,2S)-2-{[(tert-but...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCC(=O)OCC
Show InChI InChI=1S/C16H30N4O5/c1-6-8-9-12(19-15(23)25-16(3,4)5)10-18-20-14(22)17-11-13(21)24-7-2/h10,12H,6-9,11H2,1-5H3,(H,19,23)(H2,17,20,22)/t12-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177519
PNG
(CHEMBL383406 | tert-butyl N-[(1E,2S)-1-({methyl[me...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN(C)C(=O)N(C)CCc1ccccc1
Show InChI InChI=1S/C22H36N4O3/c1-7-8-14-19(24-20(27)29-22(2,3)4)17-23-26(6)21(28)25(5)16-15-18-12-10-9-11-13-18/h9-13,17,19H,7-8,14-16H2,1-6H3,(H,24,27)/t19-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50177494
PNG
(CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148296
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177490
PNG
(CHEMBL204744 | [(S)-1-(isopropylsulfanylcarbonyl-h...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)SC(C)C
Show InChI InChI=1S/C15H29N3O3S/c1-7-8-9-12(17-13(19)21-15(4,5)6)10-16-18-14(20)22-11(2)3/h10-12H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t12-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177504
PNG
((E)-[(2S)-2-{[(tert-butoxy)carbonyl]amino}hexylide...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NOC(=O)N1CCOCC1
Show InChI InChI=1S/C16H29N3O5/c1-5-6-7-13(18-14(20)23-16(2,3)4)12-17-24-15(21)19-8-10-22-11-9-19/h12-13H,5-11H2,1-4H3,(H,18,20)/t13-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177503
PNG
(CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50177503
PNG
(CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50137790
PNG
(((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50177491
PNG
(CHEMBL205173 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C16H30N4O4/c1-5-6-7-13(18-15(22)24-16(2,3)4)12-17-19-14(21)20-8-10-23-11-9-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177518
PNG
(CHEMBL203719 | tert-butyl N-[(1E,2S)-1-({methyl[(2...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H34N4O3/c1-6-7-13-18(24-20(27)28-21(2,3)4)16-23-25(5)19(26)22-15-14-17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3,(H,22,26)(H,24,27)/t18-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50177495
PNG
(CHEMBL381715 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C20H30N4O3/c1-5-6-10-16(22-19(26)27-20(2,3)4)14-21-23-18(25)24-13-12-15-9-7-8-11-17(15)24/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,22,26)(H,23,25)/t16-/m0/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50177491
PNG
(CHEMBL205173 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C16H30N4O4/c1-5-6-7-13(18-15(22)24-16(2,3)4)12-17-19-14(21)20-8-10-23-11-9-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50177503
PNG
(CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50137790
PNG
(((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin H in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50177495
PNG
(CHEMBL381715 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C20H30N4O3/c1-5-6-10-16(22-19(26)27-20(2,3)4)14-21-23-18(25)24-13-12-15-9-7-8-11-17(15)24/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,22,26)(H,23,25)/t16-/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 recombinant human cathepsin L in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50137790
PNG
(((S)-1-Formyl-pentyl)-carbamic acid tert-butyl est...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/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 recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177491
PNG
(CHEMBL205173 | {(S)-1-[(morpholine-4-carbonyl)-hyd...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1
Show InChI InChI=1S/C16H30N4O4/c1-5-6-7-13(18-15(22)24-16(2,3)4)12-17-19-14(21)20-8-10-23-11-9-20/h12-13H,5-11H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/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 recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50177487
PNG
(CHEMBL381474 | tert-butyl (1S)-1-({[amino(imino)me...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(N)N
Show InChI InChI=1S/C12H25N5O2/c1-5-6-7-9(8-15-17-10(13)14)16-11(18)19-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,18)(H4,13,14,17)/t9-/m0/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 recombinant human cathepsin K in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50177495
PNG
(CHEMBL381715 | {(S)-1-[(2,3-dihydro-indole-1-carbo...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12
Show InChI InChI=1S/C20H30N4O3/c1-5-6-10-16(22-19(26)27-20(2,3)4)14-21-23-18(25)24-13-12-15-9-7-8-11-17(15)24/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3,(H,22,26)(H,23,25)/t16-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B in a fluorescence assay


Bioorg Med Chem Lett 16: 978-83 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.108
BindingDB Entry DOI: 10.7270/Q2X929VS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%