BDBM50121027 5-(7-Hydroxy-chroman-2-yl)-3-(3-methyl-but-2-enyl)-benzene-1,2-diol::CHEMBL420310

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-[#6]-1-[#6]-[#6]-c2ccc(-[#8])cc2-[#8]-1

InChI Key: InChIKey=MSTNVJDHQJXVFI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50121027   

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
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50121027 (5-(7-Hydroxy-chroman-2-yl)-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-[#6]-1-[#6]-[#6]-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H22O4/c1-12(2)3-4-14-9-15(10-17(22)20(14)23)18-8-6-13-5-7-16(21)11-19(13)24-18/h3,5,7,9-11,18,21-23H,4,6,8H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.57E+10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry				Citation and Details Article DOI: 10.1007/s00044-011-9938-0 BindingDB Entry DOI: 10.7270/Q29W0JBG
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50121027 (5-(7-Hydroxy-chroman-2-yl)-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-[#6]-1-[#6]-[#6]-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H22O4/c1-12(2)3-4-14-9-15(10-17(22)20(14)23)18-8-6-13-5-7-16(21)11-19(13)24-18/h3,5,7,9-11,18,21-23H,4,6,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description The inhibitory activity of the compound tested against human Protein-tyrosine phosphatase 1B enzyme				Bioorg Med Chem Lett 12: 3387-90 (2002) BindingDB Entry DOI: 10.7270/Q2HH6JF5
					More data for this Ligand-Target Pair