BDBM50274874 (2S)-3',5,7-trihydroxy-2',2'-dimethyl-8'-(3-methylbut-2-enyl)-2,6'-bichroman-4-one::CHEMBL458555

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1

InChI Key: InChIKey=WJBWITXUNBMVLF-AIBWNMTMSA-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 = 50274874   

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))	BDBM50274874 ((2S)-3',5,7-trihydroxy-2',2'-dimethyl-8'-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-14-7-15(8-16-9-22(29)25(3,4)31-24(14)16)20-12-19(28)23-18(27)10-17(26)11-21(23)30-20/h5,7-8,10-11,20,22,26-27,29H,6,9,12H2,1-4H3/t20-,22?/m0/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	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology (KRIBB) Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				Bioorg Med Chem 16: 10356-62 (2008) Article DOI: 10.1016/j.bmc.2008.10.012 BindingDB Entry DOI: 10.7270/Q251404T
					More data for this Ligand-Target Pair