BDBM50339153 (2S)-5,7,3',5'-tetrahydroxy-8-[3'',8''-dimethylocta-2''(E),7''-dienyl]flavonone::CHEMBL1689342
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1cc(-[#8])cc(-[#8])c1
InChI Key: InChIKey=CUAHQWHCZQIDAM-KETROQBRSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50339153![]() ((2S)-5,7,3',5'-tetrahydroxy-8-[3'',8''-dimethyloct...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Center for Cancer Research, NCI-Frederick Curated by ChEMBL | Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C | J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT | |||||||||||
More data for this Ligand-Target Pair |