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BDBM50051153 CHEMBL14128::{(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 methyl ester

SMILES: COC(=O)Cn1c(=O)[nH]c2c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O

InChI Key: InChIKey=ULZFZBUSHMTYQC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051153   
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))		BDBM50051153
PNG
(CHEMBL14128 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...)
Show SMILES COC(=O)Cn1c(=O)[nH]c2c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O
Show InChI InChI=1S/C18H19F3N4O7/c1-8(2)12(14(28)18(19,20)21)22-10(26)6-24-5-4-9-13(16(24)30)23-17(31)25(15(9)29)7-11(27)32-3/h4-5,8,12H,6-7H2,1-3H3,(H,22,26)(H,23,31)
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Similars
Article
PubMed
 490n/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