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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50035485'   
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))		BDBM50035485
PNG
((S)-1-((S)-3-Methyl-2-{4-[4-(morpholine-4-carbonyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C34H45F5N6O7/c1-20(2)25(27(46)33(35,36)34(37,38)39)40-29(48)24-6-5-11-45(24)31(50)26(21(3)4)41-28(47)22-7-9-23(10-8-22)30(49)42-12-14-43(15-13-42)32(51)44-16-18-52-19-17-44/h7-10,20-21,24-26H,5-6,11-19H2,1-4H3,(H,40,48)(H,41,47)/t24-,25?,26-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair