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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/glucose cotransporter 2' and Ligand = 'BDBM50315422'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315422
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)phenyl]-1-th...)
Show SMILES CCOc1ccc(Cc2cccc(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5S/c1-2-26-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)21-20(25)19(24)18(23)17(12-22)27-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

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PC sid
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Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-methyl-alpha-D-glucopyranoside uptake after 1 hr by mi...


Bioorg Med Chem Lett 28: 3534-3539 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.035
BindingDB Entry DOI: 10.7270/Q2V40XWK
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315422
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)phenyl]-1-th...)
Show SMILES CCOc1ccc(Cc2cccc(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5S/c1-2-26-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)21-20(25)19(24)18(23)17(12-22)27-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair