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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005148'   
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))		BDBM50005148
PNG
((2-Methyl-1-{[(3,3,3-trifluoro-1-isopropyl-2-oxo-p...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H30F3N3O5/c1-9(2)12(14(26)18(19,20)21)23-11(25)8-22-15(27)13(10(3)4)24-16(28)29-17(5,6)7/h9-10,12-13H,8H2,1-7H3,(H,22,27)(H,23,25)(H,24,28)
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n/an/a 153n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase

J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair