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BDBM50051148 CHEMBL14222::N-(3,3,3-Trifluoro-1-isopropyl-2-oxo-propyl)-2-[(R)-2,4,8-trioxo-3-(2-oxo-2-phenyl-ethyl)-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-acetamide

SMILES: CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=JEIJGIKFLZOMNZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051148   
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))		BDBM50051148
PNG
(CHEMBL14222 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O6/c1-12(2)17(19(33)23(24,25)26)27-16(32)11-29-9-8-14-18(21(29)35)28-22(36)30(20(14)34)10-15(31)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,27,32)(H,28,36)
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Similars
Article
PubMed
 74n/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