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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036079'   
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))		BDBM50036079
PNG
(2-(8-Cyano-1-oxo-3-phenyl-1,9-dihydro-beta-carboli...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C#N)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O3/c1-14(2)21(24(35)26(27,28)29)31-20(34)13-33-19(15-7-4-3-5-8-15)11-18-17-10-6-9-16(12-30)22(17)32-23(18)25(33)36/h3-11,14,21,36H,13H2,1-2H3,(H,31,34)
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PubMed
 6.60n/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