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BDBM50051152 2-((R)-3-Methylcarbamoylmethyl-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::CHEMBL268005

SMILES: CNC(=O)Cn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O

InChI Key: InChIKey=LLDJIMYZESJKOB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051152   
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))		BDBM50051152
PNG
(2-((R)-3-Methylcarbamoylmethyl-2,4,8-trioxo-6-phen...)
Show SMILES CNC(=O)Cn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O
Show InChI InChI=1S/C24H24F3N5O6/c1-12(2)18(20(35)24(25,26)27)29-17(34)11-31-15(13-7-5-4-6-8-13)9-14-19(22(31)37)30-23(38)32(21(14)36)10-16(33)28-3/h4-9,12,18H,10-11H2,1-3H3,(H,28,33)(H,29,34)(H,30,38)
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Similars
Article
PubMed
 22n/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