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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036074'   
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))
BDBM50036074
PNG
(2-(1-Oxo-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3ccccc23)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,28H,9H2,1-2H3,(H,24,26)
PDB
MMDB

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Similars

PubMed
290n/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