BDBM50051150 2-{(R)-2,4,8-Trioxo-6-phenyl-7-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,4,7,8-tetrahydro-2H-pyrido[3,4-d]pyrimidin-3-yl}-acetamide::CHEMBL13954

SMILES: CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(N)=O)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=ASHGFPOKNTWDDL-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 = 50051150   

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))	BDBM50051150 (2-{(R)-2,4,8-Trioxo-6-phenyl-7-[(3,3,3-trifluoro-1...) Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(N)=O)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C23H22F3N5O6/c1-11(2)17(19(34)23(24,25)26)28-16(33)10-30-14(12-6-4-3-5-7-12)8-13-18(21(30)36)29-22(37)31(20(13)35)9-15(27)32/h3-8,11,17H,9-10H2,1-2H3,(H2,27,32)(H,28,33)(H,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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