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BDBM50121902 CHEMBL287630::[(S)-1-((2S,3R)-2-Benzenesulfonyl-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=JICMCJAFBMCIIX-FBLLAGFSSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121902   
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 B


(Rattus norvegicus)
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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UniChem

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PubMed
n/an/a 7.39E+3n/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
Cathepsin K


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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PubMed
n/an/a 6.5n/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
Cathepsin L1


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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n/an/a 0.100n/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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/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))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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PubMed
n/an/a 48n/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