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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036082'   
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))		BDBM50036082
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CCOC(=O)c1cccc2c3ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C22H22F3N3O5/c1-4-33-21(32)14-7-5-6-12-13-8-9-28(20(31)18(13)27-17(12)14)10-15(29)26-16(11(2)3)19(30)22(23,24)25/h5-9,11,16,31H,4,10H2,1-3H3,(H,26,29)
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PubMed
 2.50E+3n/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