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BDBM50291926 Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl ester::CHEMBL131486

SMILES: CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12

InChI Key: InChIKey=WGAJEQINWUJXSX-QHGLUPRGSA-N

Data: 1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291926   
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))
BDBM50291926
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-...)
Show SMILES CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C12H14ClNO6S/c1-3-8(16)10-7(4-20-6(2)15)5-21(18,19)12-9(13)11(17)14(10)12/h9,12H,3-5H2,1-2H3/t9-,12?/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/an/an/an/an/a 7.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair