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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005178'   
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))		BDBM50005178
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H30ClF3N4O7S/c1-14(2)21(23(37)27(29,30)31)33-20(36)13-32-26(40)22(15(3)4)34-24(38)16-5-7-17(8-6-16)25(39)35-43(41,42)19-11-9-18(28)10-12-19/h5-12,14-15,21-22H,13H2,1-4H3,(H,32,40)(H,33,36)(H,34,38)(H,35,39)
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n/an/a 73n/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