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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036083'   
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))		BDBM50036083
PNG
(2-(6-Methoxy-1-oxo-1,3,4,9-tetrahydro-beta-carboli...)
Show SMILES COc1ccc2[nH]c3c(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C3=O)c2c1
Show InChI InChI=1S/C20H22F3N3O4/c1-10(2)16(18(28)20(21,22)23)25-15(27)9-26-7-6-12-13-8-11(30-3)4-5-14(13)24-17(12)19(26)29/h4-5,8,10,16,24H,6-7,9H2,1-3H3,(H,25,27)
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PubMed
 1.10E+3n/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