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BDBM50291922 (S)-7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanylmethyl)-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL435603

SMILES: CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O

InChI Key: InChIKey=KPLZQGYZDHQGLE-LBAUFKAWSA-N

Data: 1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291922   
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))
BDBM50291922
PNG
((S)-7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-18(2,3)26-17(22)13-11(9-27-12-7-5-6-8-19-12)10-28(23,24)16-14(25-4)15(21)20(13)16/h5-8,14,16H,9-10H2,1-4H3/t14-,16?/m0/s1
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Similars

Article
PubMed
n/an/an/an/an/an/a 900n/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