BDBM50441627 3-Hydroxyglabrol::CHEMBL463947

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])ccc2-[#6](-[#8])-[#6]-1=O

InChI Key: InChIKey=LXBFWBSNSMIWJN-SYIFMXBLSA-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 = 50441627   

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))	BDBM50441627 (3-Hydroxyglabrol | CHEMBL463947) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])ccc2-[#6](-[#8])-[#6]-1=O |r| Show InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,22,24,26-28H,7,9H2,1-4H3/t22?,24-/m1/s1	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	7.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate				Bioorg Med Chem Lett 23: 5836-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.102 BindingDB Entry DOI: 10.7270/Q28W3FQ0
					More data for this Ligand-Target Pair