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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50058390'   
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))		BDBM50058390
PNG
(1-{(S)-2-[3-(4-Fluoro-phenyl)-ureido]-3-methyl-but...)
Show SMILES CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F4N4O4/c1-12(2)17(19(32)23(25,26)27)29-20(33)16-6-5-11-31(16)21(34)18(13(3)4)30-22(35)28-15-9-7-14(24)8-10-15/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,29,33)(H2,28,30,35)/t16-,17-,18-/m0/s1
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PubMed
 11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair