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SMILES: CC(C)C(NC(=O)Cn1ccc2c(nc3cc(ccc23)C(O)=O)c1O)C(=O)C(F)(F)F

InChI Key: InChIKey=LINXMDAHRLCHID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036073   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036073
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3cc(ccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)15(17(28)20(21,22)23)25-14(27)8-26-6-5-12-11-4-3-10(19(30)31)7-13(11)24-16(12)18(26)29/h3-7,9,15,29H,8H2,1-2H3,(H,25,27)(H,30,31)
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PubMed
 510n/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