BDBM50023554 2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-propionyloxy)-phenoxy]-phenyl ester::CHEMBL10157

SMILES: CC(C)(C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(C)(C)C)cc2)cc1

InChI Key: InChIKey=NWTOVVOKYBGBFD-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 = 50023554   

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))	BDBM50023554 (2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...) Show SMILES CC(C)(C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C22H26O5/c1-21(2,3)19(23)26-17-11-7-15(8-12-17)25-16-9-13-18(14-10-16)27-20(24)22(4,5)6/h7-14H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	450	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