BDBM50023539 2,2-Dimethyl-tetradecanoic acid 5-(2,2-dimethyl-propionyloxy)-4-oxo-4H-pyran-2-ylmethyl ester::CHEMBL10341

SMILES: CCCCCCCCCCCCC(C)(C)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1

InChI Key: InChIKey=VNMKYQKQAZZFTN-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 = 50023539   

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))	BDBM50023539 (2,2-Dimethyl-tetradecanoic acid 5-(2,2-dimethyl-pr...) Show SMILES CCCCCCCCCCCCC(C)(C)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1 Show InChI InChI=1S/C27H44O6/c1-7-8-9-10-11-12-13-14-15-16-17-27(5,6)25(30)32-19-21-18-22(28)23(20-31-21)33-24(29)26(2,3)4/h18,20H,7-17,19H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase at 10e-7 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
					More data for this Ligand-Target Pair