BDBM50023527 2,2-Dimethyl-malonic acid 4-benzoyl-phenyl ester methyl ester::CHEMBL9876

SMILES: COC(=O)C(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1

InChI Key: InChIKey=FZJCRXYSGDZHBR-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 = 50023527   

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))	BDBM50023527 (2,2-Dimethyl-malonic acid 4-benzoyl-phenyl ester m...) Show SMILES COC(=O)C(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H18O5/c1-19(2,17(21)23-3)18(22)24-15-11-9-14(10-12-15)16(20)13-7-5-4-6-8-13/h4-12H,1-3H3	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	1.00E+3	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-6 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
					More data for this Ligand-Target Pair