BDBM50023560 2,2-Dimethyl-propionic acid 2-allyl-4-benzoyl-phenyl ester::CHEMBL417974

SMILES: CC(C)(C)C(=O)Oc1ccc(cc1CC=C)C(=O)c1ccccc1

InChI Key: InChIKey=ZGXOOIKEDLIYQX-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 = 50023560   

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))	BDBM50023560 (2,2-Dimethyl-propionic acid 2-allyl-4-benzoyl-phen...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1CC=C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H22O3/c1-5-9-16-14-17(19(22)15-10-7-6-8-11-15)12-13-18(16)24-20(23)21(2,3)4/h5-8,10-14H,1,9H2,2-4H3	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