BDBM50025858 3-Hexadecanoyl-4-hydroxy-6-methyl-pyran-2-one::CHEMBL12738

SMILES: CCCCCCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O

InChI Key: InChIKey=GNJOOPJLVRSFOR-UHFFFAOYSA-N

Data: 1 IC50

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 = 50025858   

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))	BDBM50025858 (3-Hexadecanoyl-4-hydroxy-6-methyl-pyran-2-one | CH...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O Show InChI InChI=1S/C22H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)21-20(24)17-18(2)26-22(21)25/h17,24H,3-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against human leukocyte elastase				J Med Chem 28: 1106-9 (1985) BindingDB Entry DOI: 10.7270/Q2610ZBW
					More data for this Ligand-Target Pair