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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005161'   
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))		BDBM50005161
PNG
(CHEMBL347458 | N-(1-{[(1-Benzyl-3,3,3-trifluoro-2-...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C40H38ClF3N4O7S/c1-24(2)35(46-37(51)26-12-14-27(15-13-26)38(52)47-56(54,55)32-18-16-30(41)17-19-32)39(53)48(31-21-28-10-6-7-11-29(28)22-31)23-34(49)45-33(36(50)40(42,43)44)20-25-8-4-3-5-9-25/h3-19,24,31,33,35H,20-23H2,1-2H3,(H,45,49)(H,46,51)(H,47,52)
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PubMed
n/an/a>5.00E+3n/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