BDBM50051155 2-[(R)-3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-trioxo-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL14631

SMILES: CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(c2=O)C(C)(C)Cc2ccccc2)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=CKRADAFDKRPCDE-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 = 50051155   

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))	BDBM50051155 (2-[(R)-3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-triox...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(c2=O)C(C)(C)Cc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C25H27F3N4O5/c1-14(2)18(20(34)25(26,27)28)29-17(33)13-31-11-10-16-19(22(31)36)30-23(37)32(21(16)35)24(3,4)12-15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(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	16	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