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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50035505'   
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))		BDBM50035505
PNG
(CHEMBL140763 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H30F5N3O6/c1-12(2)17(19(34)24(26,27)25(28,29)30)31-21(36)16-6-5-11-33(16)22(37)18(13(3)4)32-20(35)14-7-9-15(10-8-14)23(38)39/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,31,36)(H,32,35)(H,38,39)/t16-,17?,18-/m0/s1
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 39n/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