BDBM50294525 3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dimethoxyisobenzofuran-1(3H)-one::CHEMBL550291

SMILES: CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC

InChI Key: InChIKey=SIFVKFNQJLVAOD-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 = 50294525   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50294525 (3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dime...) Show SMILES CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC Show InChI InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 19: 2801-3 (2009) Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF
					More data for this Ligand-Target Pair