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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50029715'   
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))
BDBM50029715
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(3-oxo-3H-inden-...)
Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)c4ccccc34)S2(=O)=O)c(c1)C(C)C |t:11|
Show InChI InChI=1S/C21H19NO6S/c1-12(2)16-8-13(27-3)9-19-20(16)21(24)22(29(19,25)26)11-28-18-10-17(23)14-6-4-5-7-15(14)18/h4-10,12H,11H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
0.0830n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair