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15 molecules are shown

Wt: 263.3
BDBM50148309
Wt: 291.3
BDBM50148310
Wt: 291.3
BDBM50148311
Wt: 321.4
BDBM50148312
Wt: 319.4
BDBM50148313
Wt: 317.4
BDBM50148292
Wt: 331.4
BDBM50148294
Wt: 325.8
BDBM50148295
Wt: 305.4
BDBM50148297
Wt: 305.4
BDBM50148298
Wt: 319.4
BDBM50148299
Wt: 277.3
BDBM50148296
Purchase
Wt: 353.4
BDBM50148301
Wt: 325.8
BDBM50148303
Wt: 277.3
BDBM50148304
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50148309,50148310,50148311,50148312,50148313,50148292,50148294,50148295,50148297,50148298,50148299,50148296,50148301,50148303,50148304   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 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)
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))
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
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50148294
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C=O
Show InChI InChI=1S/C20H29NO3/c1-2-3-12-18(16-22)21-19(23)24-20(13-8-5-9-14-20)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148295
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 2-(2-chloro-ph...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)Cc1ccccc1Cl)C=O
Show InChI InChI=1S/C17H24ClNO3/c1-4-5-9-14(12-20)19-16(21)22-17(2,3)11-13-8-6-7-10-15(13)18/h6-8,10,12,14H,4-5,9,11H2,1-3H3,(H,19,21)/t14-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148297
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-b...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CCC)Cc1ccccc1)C=O
Show InChI InChI=1S/C18H27NO3/c1-3-5-12-16(14-20)19-18(21)22-17(9-4-2)13-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,3-5,9,12-13H2,1-2H3,(H,19,21)/t16-,17-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148299
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-1-eth...)
Show SMILES CCCC[C@H](NC(=O)OC(CC)(CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C19H29NO3/c1-4-7-13-17(15-21)20-18(22)23-19(5-2,6-3)14-16-11-9-8-10-12-16/h8-12,15,17H,4-7,13-14H2,1-3H3,(H,20,22)/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148301
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-2-phe...)
Show SMILES CCCC[C@H](NC(=O)OC(Cc1ccccc1)Cc1ccccc1)C=O
Show InChI InChI=1S/C22H27NO3/c1-2-3-14-20(17-24)23-22(25)26-21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17,20-21H,2-3,14-16H2,1H3,(H,23,25)/t20-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148303
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 2-(4-chloro-ph...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)Cc1ccc(Cl)cc1)C=O
Show InChI InChI=1S/C17H24ClNO3/c1-4-5-6-15(12-20)19-16(21)22-17(2,3)11-13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,21)/t15-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148304
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-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+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148299
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-1-eth...)
Show SMILES CCCC[C@H](NC(=O)OC(CC)(CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C19H29NO3/c1-4-7-13-17(15-21)20-18(22)23-19(5-2,6-3)14-16-11-9-8-10-12-16/h8-12,15,17H,4-7,13-14H2,1-3H3,(H,20,22)/t17-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin (B and K)


(Homo sapiens)
BDBM50148299
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-1-eth...)
Show SMILES CCCC[C@H](NC(=O)OC(CC)(CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C19H29NO3/c1-4-7-13-17(15-21)20-18(22)23-19(5-2,6-3)14-16-11-9-8-10-12-16/h8-12,15,17H,4-7,13-14H2,1-3H3,(H,20,22)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
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
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148294
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C=O
Show InChI InChI=1S/C20H29NO3/c1-2-3-12-18(16-22)21-19(23)24-20(13-8-5-9-14-20)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148294
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C=O
Show InChI InChI=1S/C20H29NO3/c1-2-3-12-18(16-22)21-19(23)24-20(13-8-5-9-14-20)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148309
PNG
(((S)-1-Formyl-pentyl)-carbamic acid phenethyl este...)
Show SMILES CCCC[C@H](NC(=O)OCCc1ccccc1)C=O
Show InChI InChI=1S/C15H21NO3/c1-2-3-9-14(12-17)16-15(18)19-11-10-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,16,18)/t14-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM50148310
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-p...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C17H25NO3/c1-3-5-11-15(13-19)18-17(20)21-16(4-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,3-5,11-12H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148313
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-3...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC(C)C)Cc1ccccc1)C=O
Show InChI InChI=1S/C19H29NO3/c1-4-5-11-17(14-21)20-19(22)23-18(12-15(2)3)13-16-9-7-6-8-10-16/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3,(H,20,22)/t17-,18-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148311
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1,1-dimethyl-2...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)Cc1ccccc1)C=O
Show InChI InChI=1S/C17H25NO3/c1-4-5-11-15(13-19)18-16(20)21-17(2,3)12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148312
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 2-(4-methoxy-p...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)Cc1ccc(OC)cc1)C=O
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-15(13-20)19-17(21)23-18(2,3)12-14-8-10-16(22-4)11-9-14/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,21)/t15-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin (B and K)


(Homo sapiens)
BDBM50148310
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-p...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C17H25NO3/c1-3-5-11-15(13-19)18-17(20)21-16(4-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,3-5,11-12H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
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
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148310
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-p...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C17H25NO3/c1-3-5-11-15(13-19)18-17(20)21-16(4-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,3-5,11-12H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.084
BindingDB Entry DOI: 10.7270/Q2SF2VMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM50148310
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-p...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O
Show InChI InChI=1S/C17H25NO3/c1-3-5-11-15(13-19)18-17(20)21-16(4-2)12-14-9-7-6-8-10-14/h6-10,13,15-16H,3-5,11-12H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 1815-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.033
BindingDB Entry DOI: 10.7270/Q2DR2V1G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 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 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 (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 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 (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))
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))
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 (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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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