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BDBM50121914 CHEMBL281672::[(S)-1-((S)-2-Oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC1=O)OCc1ccccc1

InChI Key: InChIKey=VQAJJNPCVYMTSC-IRXDYDNUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121914   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121914
PNG
(CHEMBL281672 | [(S)-1-((S)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
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 B


(Rattus norvegicus)
BDBM50121914
PNG
(CHEMBL281672 | [(S)-1-((S)-2-Oxo-azetidin-3-ylcarb...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC1=O)OCc1ccccc1
Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.70E+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