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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005150'   
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))		BDBM50005150
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C36H40ClF3N4O6S/c1-21(2)30(32(45)36(38,39)40)41-17-18-44(28-19-25-7-5-6-8-26(25)20-28)35(48)31(22(3)4)42-33(46)23-9-11-24(12-10-23)34(47)43-51(49,50)29-15-13-27(37)14-16-29/h5-16,21-22,28,30-31,41H,17-20H2,1-4H3,(H,42,46)(H,43,47)
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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