BDBM50051136 CHEMBL13740::{(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 benzyl ester

SMILES: CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OCc3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=IMZGLRIYUYCKGL-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051136   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM50051136 (CHEMBL13740 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OCc3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C24H23F3N4O7/c1-13(2)18(20(34)24(25,26)27)28-16(32)10-30-9-8-15-19(22(30)36)29-23(37)31(21(15)35)11-17(33)38-12-14-6-4-3-5-7-14/h3-9,13,18H,10-12H2,1-2H3,(H,28,32)(H,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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