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BDBM50345021 (2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(16-oxa-tricyclo[15.2.2.0*3,8*]henicosa-1(20),3(8),4,6,13,17(21),18-heptaen-5-yl)-tetrahydro-pyran-3,4,5-triol::CHEMBL1778659

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc2CCCC\C=C\COc3ccc(Cc2c1)cc3

InChI Key: InChIKey=BLIXKORVTSPRQD-VCNVZYBUSA-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 = 50345021   
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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50345021
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(16-oxa-tricycl...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc2CCCC\C=C\COc3ccc(Cc2c1)cc3 |r,t:20|
Show InChI InChI=1S/C26H32O6/c27-16-22-23(28)24(29)25(30)26(32-22)19-10-9-18-6-4-2-1-3-5-13-31-21-11-7-17(8-12-21)14-20(18)15-19/h3,5,7-12,15,22-30H,1-2,4,6,13-14,16H2/b5-3+/t22-,23-,24+,25-,26+/m1/s1
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Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells using methyl-alpha-D-glucopyranoside by liquid scintillation counting


Bioorg Med Chem Lett 21: 3759-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.063
BindingDB Entry DOI: 10.7270/Q2NC61KM
More data for this
Ligand-Target Pair