BDBM50023528 2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-propionyloxy)-benzyl]-phenyl ester::CHEMBL10342

SMILES: CC(C)(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc1

InChI Key: InChIKey=MBZGWECUKIAMKJ-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 = 50023528   

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))	BDBM50023528 (2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...) Show SMILES CC(C)(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C23H28O4/c1-22(2,3)20(24)26-18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)27-21(25)23(4,5)6/h7-14H,15H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	460	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