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BDBM50315435 (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyphenyl]-1-thio-D-glucitol::CHEMBL1091947

SMILES: CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=UOPBIEFIBACYKU-ADAARDCZSA-N

Data: 4 IC50

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 4 hits for monomerid = 50315435   
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))
BDBM50315435
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)
Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

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Article
PubMed
n/an/a 17n/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
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50315435
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)
Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4.04E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-methyl-alpha-D-glucopyranoside uptake after 30 mins by...


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))
BDBM50315435
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)
Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/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 17n/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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50315435
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)
Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/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 4.04E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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