BDBM50051137 2-[(R)-3-(Benzylcarbamoyl-methyl)-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::CHEMBL275340

SMILES: CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(=O)NCc3ccccc3)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=IUUYPAYSACVEPI-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 = 50051137   

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))	BDBM50051137 (2-[(R)-3-(Benzylcarbamoyl-methyl)-2,4,8-trioxo-6-p...) Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(=O)NCc3ccccc3)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C30H28F3N5O6/c1-17(2)24(26(41)30(31,32)33)35-23(40)16-37-21(19-11-7-4-8-12-19)13-20-25(28(37)43)36-29(44)38(27(20)42)15-22(39)34-14-18-9-5-3-6-10-18/h3-13,17,24H,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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