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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036060'   
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))		BDBM50036060
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)
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 22n/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