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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50058345'   
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))		BDBM50058345
PNG
(CHEMBL2372982 | N-{(S)-2-Methyl-1-[2-(3,3,3-triflu...)
Show SMILES CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29F3N4O4/c1-12(2)16(18(30)22(23,24)25)27-20(32)15-6-5-11-29(15)21(33)17(13(3)4)28-19(31)14-7-9-26-10-8-14/h7-10,12-13,15-17H,5-6,11H2,1-4H3,(H,27,32)(H,28,31)/t15-,16-,17-/m0/s1
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Article
PubMed
 3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair