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BDBM50179685 (2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-1H-indol-5-yl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL377301

SMILES: CCc1ccc(Cc2c[nH]c3ccc(cc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=JUKBYZVOZNYJIY-ZQGJOIPISA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179685   
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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50179685
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-1H-indol-5-y...)
Show SMILES CCc1ccc(Cc2c[nH]c3ccc(cc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H27NO5/c1-2-13-3-5-14(6-4-13)9-16-11-24-18-8-7-15(10-17(16)18)23-22(28)21(27)20(26)19(12-25)29-23/h3-8,10-11,19-28H,2,9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity aginst SGLT2 expressed in CHO-K1 cells


Bioorg Med Chem Lett 16: 1696-701 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.006
BindingDB Entry DOI: 10.7270/Q22J6BDJ
More data for this
Ligand-Target Pair