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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005177'   
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))		BDBM50005177
PNG
((1-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-[(3,3,3-trifl...)
Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc2ccccc2)C(C)C)cc1OC
Show InChI InChI=1S/C31H40F3N3O7/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(15-14-21-12-13-23(42-5)24(16-21)43-6)29(40)27(20(3)4)36-30(41)44-18-22-10-8-7-9-11-22/h7-13,16,19-20,26-27H,14-15,17-18H2,1-6H3,(H,35,38)(H,36,41)
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n/an/a 693n/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