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BDBM50137790 ((S)-1-Formyl-pentyl)-carbamic acid tert-butyl ester::(S)-tert-butyl 1-oxohexan-2-ylcarbamate::CHEMBL96875::[(S)-1-(4-Bromo-1H-pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C=O

InChI Key: InChIKey=OBMGXPJNZKYOQY-VIFPVBQESA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50137790   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pro-cathepsin H


(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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PubMed
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 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)


Article DOI: 10.1016/j.bmcl.2003.09.088
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
Concentration required to inhibit 50% of cysteine protease cathepsin K of human


J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Procathepsin L


(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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PubMed
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 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
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
Cathepsin B


(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 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))
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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Article
PubMed
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))
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
PDB
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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin K


Bioorg Med Chem Lett 14: 719-22 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.029
BindingDB Entry DOI: 10.7270/Q2QV3KX1
More data for this
Ligand-Target Pair