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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036070'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50036070
PNG
(CHEMBL174802 | {1-Oxo-3-phenyl-2-[(3,3,3-trifluoro...)
Show SMILES COP(=O)(OC)c1ccc2nc3c(O)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(cc3c2c1)-c1ccccc1
Show InChI InChI=1S/C27H27F3N3O6P/c1-15(2)23(25(35)27(28,29)30)32-22(34)14-33-21(16-8-6-5-7-9-16)13-19-18-12-17(40(37,38-3)39-4)10-11-20(18)31-24(19)26(33)36/h5-13,15,23,36H,14H2,1-4H3,(H,32,34)
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PC sid
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Similars

PubMed
9.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA


J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair