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BDBM50121909 CHEMBL30957::[(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

SMILES: CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=RHNULCWVJCENCM-JQVVWYNYSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121909   
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 L1


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase(HLE)


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121909
PNG
(CHEMBL30957 | [(S)-1-((2S,3S)-2-tert-Butoxy-4-oxo-...)
Show SMILES CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-24(2,3)32-22-19(21(29)27-22)26-20(28)18(14-16-10-6-4-7-11-16)25-23(30)31-15-17-12-8-5-9-13-17/h4-13,18-19,22H,14-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t18-,19+,22-/m0/s1
PDB
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CHEMBL
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UniChem

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PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair