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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036080'   
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))		BDBM50036080
PNG
(3-Isopropyl-1-oxo-2-[(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1C(C)C)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O5/c1-10(2)15-8-14-12-6-5-7-13(22(33)34)18(12)28-19(14)21(32)29(15)9-16(30)27-17(11(3)4)20(31)23(24,25)26/h5-8,10-11,17,32H,9H2,1-4H3,(H,27,30)(H,33,34)
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 19n/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