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BDBM50351438 CHEMBL1817688

SMILES: CCOc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=YZWJSARIKDKNHC-XCTOGPPJSA-N

Data: 2 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 2 hits for monomerid = 50351438   
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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50351438
PNG
(CHEMBL1817688)
Show SMILES CCOc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6/c1-2-27-17-9-7-14(8-10-17)11-15-5-3-4-6-18(15)28-19-12-16(13-23)20(24)22(26)21(19)25/h3-10,16,19-26H,2,11-13H2,1H3/t16-,19-,20-,21+,22+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins


Bioorg Med Chem 19: 5334-41 (2011)


Article DOI: 10.1016/j.bmc.2011.08.005
BindingDB Entry DOI: 10.7270/Q2F1903R
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50351438
PNG
(CHEMBL1817688)
Show SMILES CCOc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6/c1-2-27-17-9-7-14(8-10-17)11-15-5-3-4-6-18(15)28-19-12-16(13-23)20(24)22(26)21(19)25/h3-10,16,19-26H,2,11-13H2,1H3/t16-,19-,20-,21+,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins


Bioorg Med Chem 19: 5334-41 (2011)


Article DOI: 10.1016/j.bmc.2011.08.005
BindingDB Entry DOI: 10.7270/Q2F1903R
More data for this
Ligand-Target Pair