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BDBM50051156 2-((R)-3-Methyl-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL14115

SMILES: CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(C)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=XXNQRMGSCMZMGD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051156   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50051156
PNG
(2-((R)-3-Methyl-2,4,8-trioxo-6-phenyl-2,3,4,8-tetr...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(C)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O5/c1-11(2)16(18(31)22(23,24)25)26-15(30)10-29-14(12-7-5-4-6-8-12)9-13-17(20(29)33)27-21(34)28(3)19(13)32/h4-9,11,16H,10H2,1-3H3,(H,26,30)(H,27,34)
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Article
PubMed
 10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair