BDBM50023556 2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-3-oxo-propyl)-phenyl ester::CHEMBL10176

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

InChI Key: InChIKey=CFRSFBTWNMSMFQ-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 = 50023556   

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))	BDBM50023556 (2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-...) Show SMILES CC(Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1)C=O Show InChI InChI=1S/C22H24O4/c1-15(14-23)12-18-13-17(20(24)16-8-6-5-7-9-16)10-11-19(18)26-21(25)22(2,3)4/h5-11,13-15H,12H2,1-4H3	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	800	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