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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50281591'   
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))		BDBM50281591
PNG
(CHEMBL345477 | {(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-p...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C22H34F5N3O5/c1-11(2)14(16(31)21(23,24)22(25,26)27)28-17(32)13-9-8-10-30(13)18(33)15(12(3)4)29-19(34)35-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,28,32)(H,29,34)/t13-,14?,15-/m0/s1
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Similars
Article
 55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its potency to inhibit human neutrophil elastase activity

Bioorg Med Chem Lett 3: 525-530 (1993)


Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF
More data for this
Ligand-Target Pair