BDBM50023517 2,2-Dimethyl-propionic acid 5-(2,2-dimethyl-propionyloxy)-2-[4-(2,2-dimethyl-propionyloxy)-benzoyl]-phenyl ester::CHEMBL9984

SMILES: CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C

InChI Key: InChIKey=BCSSZRZOVKZQPN-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 = 50023517   

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))	BDBM50023517 (2,2-Dimethyl-propionic acid 5-(2,2-dimethyl-propio...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C Show InChI InChI=1S/C28H34O7/c1-26(2,3)23(30)33-18-12-10-17(11-13-18)22(29)20-15-14-19(34-24(31)27(4,5)6)16-21(20)35-25(32)28(7,8)9/h10-16H,1-9H3	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	55	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-5 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
					More data for this Ligand-Target Pair