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BDBM50315426 (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol::CHEMBL1093423

SMILES: CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1

InChI Key: InChIKey=WHSOLWOTCHFFBK-ZQGJOIPISA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50315426   
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 (SGLT2)


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-alpha-methylglucoside uptake


Bioorg Med Chem 24: 1937-80 (2016)


BindingDB Entry DOI: 10.7270/Q22B90WR
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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CHEMBL
PC cid
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Article
PubMed
n/an/a 3.99E+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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.30n/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