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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036044'   
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))		BDBM50036044
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-((S)-4-meth...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C1=N[C@@H](C)CO1 |t:33|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)21(23(32)25-28-18(5)14-36-25)29-24(33)20-12-9-13-31(20)26(34)22(17(3)4)30-27(35)37-15-19-10-7-6-8-11-19/h6-8,10-11,16-18,20-22H,9,12-15H2,1-5H3,(H,29,33)(H,30,35)/t18-,20-,21-,22-/m0/s1
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PubMed
 1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair