BDBM50023561 2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-allyl)-phenyl ester::CHEMBL273668

SMILES: CC(=C)Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1

InChI Key: InChIKey=YRIPJKLAGSORKE-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 = 50023561   

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))	BDBM50023561 (2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-...) Show SMILES CC(=C)Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C22H24O3/c1-15(2)13-18-14-17(20(23)16-9-7-6-8-10-16)11-12-19(18)25-21(24)22(3,4)5/h6-12,14H,1,13H2,2-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	850	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