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BDBM50051160 2-[(R)-3-(4-Methoxy-benzyl)-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::CHEMBL14121

SMILES: COc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1

InChI Key: InChIKey=HXJSJCIHKJGWCS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051160   
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))		BDBM50051160
PNG
(2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-6-phenyl-...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1
Show InChI InChI=1S/C29H27F3N4O6/c1-16(2)23(25(38)29(30,31)32)33-22(37)15-35-21(18-7-5-4-6-8-18)13-20-24(27(35)40)34-28(41)36(26(20)39)14-17-9-11-19(42-3)12-10-17/h4-13,16,23H,14-15H2,1-3H3,(H,33,37)(H,34,41)
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Article
PubMed
 5.70n/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