BDBM50294530 CHEMBL559457::methyl 8-hydroxy-3-methoxy-11-oxo-1-pentanoyl-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylate

SMILES: CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(=O)OC

InChI Key: InChIKey=XQTRWYHOGMCUKF-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 = 50294530   

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))	BDBM50294530 (CHEMBL559457 | methyl 8-hydroxy-3-methoxy-11-oxo-1...) Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(=O)OC Show InChI InChI=1S/C26H30O8/c1-5-7-9-10-16-22(25(29)32-4)19(28)14-21-24(16)33-20-13-15(31-3)12-17(18(27)11-8-6-2)23(20)26(30)34-21/h12-14,28H,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	3.02E+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