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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50065154'   
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))		BDBM50065154
PNG
(4-Hydroxy-1-{(S)-3-methyl-2-[4-(morpholine-4-carbo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC(O)CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H37F5N4O7/c1-15(2)21(23(40)28(30,31)29(32,33)34)35-25(42)20-13-19(39)14-38(20)27(44)22(16(3)4)36-24(41)17-5-7-18(8-6-17)26(43)37-9-11-45-12-10-37/h5-8,15-16,19-22,39H,9-14H2,1-4H3,(H,35,42)(H,36,41)/t19?,20?,21?,22-/m0/s1
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Article
PubMed
 120n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.

J Med Chem 41: 2461-80 (1998)


Article DOI: 10.1021/jm970812e
BindingDB Entry DOI: 10.7270/Q23X85S8
More data for this
Ligand-Target Pair