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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50058352'   
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))		BDBM50058352
PNG
(CHEMBL2372981 | Pyridine-2-carboxylic acid {(S)-2-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)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)15-9-7-11-29(15)21(33)17(13(3)4)28-19(31)14-8-5-6-10-26-14/h5-6,8,10,12-13,15-17H,7,9,11H2,1-4H3,(H,27,32)(H,28,31)/t15-,16-,17-/m0/s1
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 20n/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