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BDBM50015867 3-Acetoxymethyl-5,5,8-trioxo-7-phenethyloxy-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL82320

SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](OCCc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=SAWLAWYJDWVYAY-AZUAARDMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015867   
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))
BDBM50015867
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenethyloxy-5lambd...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OCCc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H27NO8S/c1-14(24)30-12-16-13-32(27,28)20-18(29-11-10-15-8-6-5-7-9-15)19(25)23(20)17(16)21(26)31-22(2,3)4/h5-9,18,20H,10-13H2,1-4H3/t18-,20+/m0/s1
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Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme


J Med Chem 33: 2513-21 (1990)


Article DOI: 10.1021/jm00171a028
BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair