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BDBM50174682 (2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL200394

SMILES: COc1ccc(CCc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1

InChI Key: InChIKey=ZETFQCZSERGWIR-DODNOZFWSA-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 = 50174682   
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))
BDBM50174682
PNG
((2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-1H-indo...)
Show SMILES COc1ccc(CCc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show InChI InChI=1S/C23H27NO7/c1-29-15-9-6-13(7-10-15)5-8-14-11-24-16-3-2-4-17(19(14)16)30-23-22(28)21(27)20(26)18(12-25)31-23/h2-4,6-7,9-11,18,20-28H,5,8,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity towards human SGLT2 expressed in CHO-K1 cells


Bioorg Med Chem Lett 15: 5202-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.067
BindingDB Entry DOI: 10.7270/Q2WW7H66
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50174682
PNG
((2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-1H-indo...)
Show SMILES COc1ccc(CCc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show InChI InChI=1S/C23H27NO7/c1-29-15-9-6-13(7-10-15)5-8-14-11-24-16-3-2-4-17(19(14)16)30-23-22(28)21(27)20(26)18(12-25)31-23/h2-4,6-7,9-11,18,20-28H,5,8,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

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
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50174682
PNG
((2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-1H-indo...)
Show SMILES COc1ccc(CCc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show InChI InChI=1S/C23H27NO7/c1-29-15-9-6-13(7-10-15)5-8-14-11-24-16-3-2-4-17(19(14)16)30-23-22(28)21(27)20(26)18(12-25)31-23/h2-4,6-7,9-11,18,20-28H,5,8,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 611n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity aginst SGLT1 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
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50174682
PNG
((2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-1H-indo...)
Show SMILES COc1ccc(CCc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Show InChI InChI=1S/C23H27NO7/c1-29-15-9-6-13(7-10-15)5-8-14-11-24-16-3-2-4-17(19(14)16)30-23-22(28)21(27)20(26)18(12-25)31-23/h2-4,6-7,9-11,18,20-28H,5,8,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 611n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity towards human SGLT1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 15: 5202-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.067
BindingDB Entry DOI: 10.7270/Q2WW7H66
More data for this
Ligand-Target Pair