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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036071'   
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))		BDBM50036071
PNG
(2-(6-Chloro-1-oxo-1,9-dihydro-beta-carbolin-2-yl)-...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c3cc(Cl)ccc3nc2c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H17ClF3N3O3/c1-9(2)15(17(28)19(21,22)23)25-14(27)8-26-6-5-11-12-7-10(20)3-4-13(12)24-16(11)18(26)29/h3-7,9,15,29H,8H2,1-2H3,(H,25,27)
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PubMed
 210n/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