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PubMed code 14684342

Compile data set for download or QSAR
Found 39 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))
BDBM50084655
PNG
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137821
PNG
(((S)-5-tert-Butoxycarbonylamino-6-oxo-hexyl)-carba...)
Show SMILES COC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C13H24N2O5/c1-13(2,3)20-12(18)15-10(9-16)7-5-6-8-14-11(17)19-4/h9-10H,5-8H2,1-4H3,(H,14,17)(H,15,18)/t10-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137824
PNG
(((S)-1-Formyl-4-phenyl-butyl)-carbamic acid tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCc1ccccc1)C=O
Show InChI InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-14(12-18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137813
PNG
(((S)-4-Cyclohexyl-1-formyl-butyl)-carbamic acid te...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCC1CCCCC1)C=O
Show InChI InChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17-14(12-18)11-7-10-13-8-5-4-6-9-13/h12-14H,4-11H2,1-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137814
PNG
(((S)-1-Formyl-heptyl)-carbamic acid tert-butyl est...)
Show SMILES CCCCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C13H25NO3/c1-5-6-7-8-9-11(10-15)14-12(16)17-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,16)/t11-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137816
PNG
(((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50137797
PNG
(((S)-3-Cyclohexyl-1-formyl-propyl)-carbamic acid t...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC1CCCCC1)C=O
Show InChI InChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,18)/t13-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137820
PNG
(CHEMBL92972 | {(S)-1-Formyl-4-[methyl-(2,2,2-trifl...)
Show SMILES CN(CCC[C@H](NC(=O)OC(C)(C)C)C=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H21F3N2O4/c1-12(2,3)22-11(21)17-9(8-19)6-5-7-18(4)10(20)13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,21)/t9-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137810
PNG
(((S)-1-Formyl-3-phenyl-propyl)-carbamic acid tert-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C=O
Show InChI InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
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
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137805
PNG
(((S)-2-Cyclohexyl-1-formyl-ethyl)-carbamic acid te...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C=O
Show InChI InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,15,17)/t12-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137825
PNG
(((S)-1-Formyl-butyl)-carbamic acid tert-butyl este...)
Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137802
PNG
(((S)-2-Benzyloxy-1-formyl-ethyl)-carbamic acid ter...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C=O
Show InChI InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-9,13H,10-11H2,1-3H3,(H,16,18)/t13-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137803
PNG
(((R)-2-Benzylsulfanyl-1-formyl-ethyl)-carbamic aci...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C=O
Show InChI InChI=1S/C15H21NO3S/c1-15(2,3)19-14(18)16-13(9-17)11-20-10-12-7-5-4-6-8-12/h4-9,13H,10-11H2,1-3H3,(H,16,18)/t13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137812
PNG
(((S)-1-Formyl-pent-3-enyl)-carbamic acid tert-buty...)
Show SMILES C\C=C/C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H19NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,14)/b6-5-/t9-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137817
PNG
(CHEMBL92971 | [(S)-1-Formyl-5-(2,2,2-trifluoro-ace...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C=O
Show InChI InChI=1S/C13H21F3N2O4/c1-12(2,3)22-11(21)18-9(8-19)6-4-5-7-17-10(20)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,20)(H,18,21)/t9-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137791
PNG
(CHEMBL92465 | {(S)-1-Formyl-5-[methyl-(2,2,2-trifl...)
Show SMILES CN(CCCC[C@H](NC(=O)OC(C)(C)C)C=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H23F3N2O4/c1-13(2,3)23-12(22)18-10(9-20)7-5-6-8-19(4)11(21)14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,22)/t10-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
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
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137793
PNG
(((S)-2-Oxo-1-phenyl-ethyl)-carbamic acid tert-buty...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)/t11-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137788
PNG
(((S)-1-Formyl-propyl)-carbamic acid tert-butyl est...)
Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137808
PNG
(((S)-1-Formyl-3-methylsulfanyl-propyl)-carbamic ac...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137809
PNG
(((S)-1-Formyl-3-methyl-but-3-enyl)-carbamic acid t...)
Show SMILES CC(=C)C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H19NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7,9H,1,6H2,2-5H3,(H,12,14)/t9-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137806
PNG
(((R)-2-Ethylsulfanyl-1-formyl-ethyl)-carbamic acid...)
Show SMILES CCSC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO3S/c1-5-15-7-8(6-12)11-9(13)14-10(2,3)4/h6,8H,5,7H2,1-4H3,(H,11,13)/t8-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137811
PNG
(((S)-5,5,5-Trifluoro-1-formyl-pentyl)-carbamic aci...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCC(F)(F)F)C=O
Show InChI InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-8(7-16)5-4-6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)/t8-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137800
PNG
(CHEMBL92993 | {(S)-1-Formyl-3-[methyl-(2,2,2-trifl...)
Show SMILES CN(CC[C@H](NC(=O)OC(C)(C)C)C=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H19F3N2O4/c1-11(2,3)21-10(20)16-8(7-18)5-6-17(4)9(19)12(13,14)15/h7-8H,5-6H2,1-4H3,(H,16,20)/t8-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137818
PNG
(((S)-1-Formyl-2-phenyl-ethyl)-carbamic acid tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137792
PNG
(((S)-1-Formyl-hexyl)-carbamic acid tert-butyl este...)
Show SMILES CCCCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C12H23NO3/c1-5-6-7-8-10(9-14)13-11(15)16-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,15)/t10-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137789
PNG
(((R)-1-Formyl-2-methyl-butyl)-carbamic acid tert-b...)
Show SMILES CCC(C)[C@@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t8?,9-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137794
PNG
(((S)-1-Formyl-pent-3-enyl)-carbamic acid tert-buty...)
Show SMILES C\C=C\C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H19NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,14)/b6-5+/t9-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137795
PNG
(((S)-1-Formyl-2-methyl-propyl)-carbamic acid tert-...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h6-8H,1-5H3,(H,11,13)/t8-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137807
PNG
(((S)-1-Methyl-2-oxo-ethyl)-carbamic acid tert-buty...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137796
PNG
(((S)-1-Formyl-2-methyl-butyl)-carbamic acid tert-b...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t8?,9-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137823
PNG
(((S)-1-Formyl-3,3-dimethyl-butyl)-carbamic acid te...)
Show SMILES CC(C)(C)C[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C12H23NO3/c1-11(2,3)7-9(8-14)13-10(15)16-12(4,5)6/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (Human))
BDBM50137815
PNG
(((S)-2-tert-Butoxycarbonylamino-3-oxo-propyl)-carb...)
Show SMILES COC(=O)NC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-7(6-13)5-11-8(14)16-4/h6-7H,5H2,1-4H3,(H,11,14)(H,12,15)/t7-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137801
PNG
(((S)-1-Formyl-pent-3-ynyl)-carbamic acid tert-buty...)
Show SMILES CC#CC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C11H17NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,7H2,1-4H3,(H,12,14)/t9-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137798
PNG
(((S)-2-Ethoxy-1-formyl-ethyl)-carbamic acid tert-b...)
Show SMILES CCOC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO4/c1-5-14-7-8(6-12)11-9(13)15-10(2,3)4/h6,8H,5,7H2,1-4H3,(H,11,13)/t8-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137804
PNG
(((S)-1-Formyl-3-methoxy-propyl)-carbamic acid tert...)
Show SMILES COCC[C@H](NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-8(7-12)5-6-14-4/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137819
PNG
((2-Oxo-ethyl)-carbamic acid tert-butyl ester | CHE...)
Show SMILES CC(C)(C)OC(=O)NCC=O
Show InChI InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)8-4-5-9/h5H,4H2,1-3H3,(H,8,10)
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n/an/a 5.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50137799
PNG
(((S)-1-Formyl-2,2-dimethyl-propyl)-carbamic acid t...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C(C)(C)C
Show InChI InChI=1S/C11H21NO3/c1-10(2,3)8(7-13)12-9(14)15-11(4,5)6/h7-8H,1-6H3,(H,12,14)/t8-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%