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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Monomerid = 50015855   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50015855
PNG
(3-Acetoxymethyl-7-ethoxy-5,8-dioxo-5lambda*4*-thia...)
Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2=O
Show InChI InChI=1S/C16H23NO7S/c1-6-22-12-13(19)17-11(15(20)24-16(3,4)5)10(7-23-9(2)18)8-25(21)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+,25?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50015855
PNG
(3-Acetoxymethyl-7-ethoxy-5,8-dioxo-5lambda*4*-thia...)
Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2=O
Show InChI InChI=1S/C16H23NO7S/c1-6-22-12-13(19)17-11(15(20)24-16(3,4)5)10(7-23-9(2)18)8-25(21)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/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