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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036041'   
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))		BDBM50036041
PNG
(CHEMBL169887 | {(S)-1-[(S)-2-((S)-1-Isopropyl-2,3-...)
Show SMILES CCCCC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C28H41N3O6/c1-6-7-15-22(32)25(33)23(18(2)3)29-26(34)21-14-11-16-31(21)27(35)24(19(4)5)30-28(36)37-17-20-12-9-8-10-13-20/h8-10,12-13,18-19,21,23-24H,6-7,11,14-17H2,1-5H3,(H,29,34)(H,30,36)/t21-,23-,24-/m0/s1
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PubMed
 1.60n/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