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BDBM50256080 (2S,3R,4S,5S,6R)-2-(3,5-dihydroxy-2-(3-(4-hydroxyphenyl)propyl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol::CHEMBL516247

SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2CCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=XVEIZRPEUQSVDV-YMQHIKHWSA-N

Data: 1 KI

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 = 50256080   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Solute carrier family 28 member 3


(Homo sapiens (Human))
BDBM50256080
PNG
((2S,3R,4S,5S,6R)-2-(3,5-dihydroxy-2-(3-(4-hydroxyp...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2CCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H26O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-16-9-13(24)8-15(25)14(16)3-1-2-11-4-6-12(23)7-5-11/h4-9,17-28H,1-3,10H2/t17-,18-,19+,20-,21-/m1/s1
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Similars

Article
PubMed
1.24E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter


Bioorg Med Chem Lett 19: 917-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.112
BindingDB Entry DOI: 10.7270/Q2K07440
More data for this
Ligand-Target Pair