BDBM50051147 2-[(R)-3-(2-Ethoxy-ethyl)-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::CHEMBL14165

SMILES: CCOCCn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O

InChI Key: InChIKey=LTKADXBHDBCMBY-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 = 50051147   

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))	BDBM50051147 (2-[(R)-3-(2-Ethoxy-ethyl)-2,4,8-trioxo-6-phenyl-2,...) Show SMILES CCOCCn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O Show InChI InChI=1S/C25H27F3N4O6/c1-4-38-11-10-31-22(35)16-12-17(15-8-6-5-7-9-15)32(23(36)20(16)30-24(31)37)13-18(33)29-19(14(2)3)21(34)25(26,27)28/h5-9,12,14,19H,4,10-11,13H2,1-3H3,(H,29,33)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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