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BDBM50015913 Acetic acid 2-(benzyl-methyl-carbamoyl)-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl ester::CHEMBL314155

SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)Cc1ccccc1)=C(COC(C)=O)CS2(=O)=O

InChI Key: InChIKey=IOESOVUDYWYGIW-QFBILLFUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015913   
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))
BDBM50015913
PNG
(Acetic acid 2-(benzyl-methyl-carbamoyl)-7-methoxy-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)Cc1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C19H22N2O7S/c1-12(22)28-10-14-11-29(25,26)19-16(27-3)18(24)21(19)15(14)17(23)20(2)9-13-7-5-4-6-8-13/h4-8,16,19H,9-11H2,1-3H3/t16-,19+/m0/s1
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)


J Med Chem 33: 2522-8 (1990)


Article DOI: 10.1021/jm00171a029
BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair