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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50005906'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005906
PNG
(Acetic acid 6,8-diacetoxy-2-methyl-9,10-dioxo-9,10...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2C(=O)c3c(OC(C)=O)c(C)ccc3C(=O)c2c1
Show InChI InChI=1S/C21H16O8/c1-9-5-6-14-18(21(9)29-12(4)24)20(26)17-15(19(14)25)7-13(27-10(2)22)8-16(17)28-11(3)23/h5-8H,1-4H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 52 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair