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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036063'   
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))		BDBM50036063
PNG
(2-(1-Oxo-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-N-...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3ccccc23)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-6,10,15,23H,7-9H2,1-2H3,(H,24,26)
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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