BDBM50023530 2,2-Dimethyl-propionic acid 4-benzoyl-2-(3-hydroxy-propyl)-phenyl ester::CHEMBL10305

SMILES: CC(C)(C)C(=O)Oc1ccc(cc1CCCO)C(=O)c1ccccc1

InChI Key: InChIKey=WDLHEVRFVVGGDU-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 = 50023530   

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))	BDBM50023530 (2,2-Dimethyl-propionic acid 4-benzoyl-2-(3-hydroxy...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1CCCO)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O4/c1-21(2,3)20(24)25-18-12-11-17(14-16(18)10-7-13-22)19(23)15-8-5-4-6-9-15/h4-6,8-9,11-12,14,22H,7,10,13H2,1-3H3	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	350	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