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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036125'   
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))		BDBM50036125
PNG
(CHEMBL276174 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,...)
Show SMILES CSC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H20F4N4O4S/c1-10(2)15(16(30)20(22,23)24)27-14(29)9-28-17(11-4-6-12(21)7-5-11)25-8-13(18(28)31)26-19(32)33-3/h4-8,10,15H,9H2,1-3H3,(H,26,32)(H,27,29)
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PubMed
 23n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair