BDBM50023543 2,2-Dimethyl-propionic acid 2,3-bis-(2,2-dimethyl-propionyloxy)-6-[3,4,5-tris-(2,2-dimethyl-propionyloxy)-benzoyl]-phenyl ester::CHEMBL275765

SMILES: CC(C)(C)C(=O)Oc1ccc(C(=O)c2cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)c(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C

InChI Key: InChIKey=JVLVPDGBAKPJKX-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 = 50023543   

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))	BDBM50023543 (2,2-Dimethyl-propionic acid 2,3-bis-(2,2-dimethyl-...) Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)c(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C Show InChI InChI=1S/C43H58O13/c1-38(2,3)32(45)51-25-20-19-24(29(54-35(48)41(10,11)12)31(25)56-37(50)43(16,17)18)28(44)23-21-26(52-33(46)39(4,5)6)30(55-36(49)42(13,14)15)27(22-23)53-34(47)40(7,8)9/h19-22H,1-18H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	360	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