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BDBM50051151 CHEMBL273612::{(R)-2,4,8-Trioxo-7-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,4,7,8-tetrahydro-2H-pyrido[3,4-d]pyrimidin-3-yl}-acetic acid

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

InChI Key: InChIKey=XOFCFVNEUVKTEB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051151   
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))
BDBM50051151
PNG
(CHEMBL273612 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(O)=O)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O7/c1-7(2)11(13(28)17(18,19)20)21-9(25)5-23-4-3-8-12(15(23)30)22-16(31)24(14(8)29)6-10(26)27/h3-4,7,11H,5-6H2,1-2H3,(H,21,25)(H,22,31)(H,26,27)
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Similars

Article
PubMed
690n/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