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BDBM109279 US8609622, 7

SMILES: OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCC(F)(F)F)cc2)c1

InChI Key: InChIKey=CFAHXDCMZVZTKY-QBSQKGQOSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 109279   
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-dependent glucose cotransporter 1 (SGLT1)


(Mus musculus (Mouse))
BDBM109279
PNG
(US8609622, 7)
Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C22H22ClF3O7/c23-16-6-3-14(22-19(30)17(28)18(29)20(9-27,33-22)10-32-22)8-13(16)7-12-1-4-15(5-2-12)31-11-21(24,25)26/h1-6,8,17-19,27-30H,7,9-11H2/t17-,18-,19+,20+,22?/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.43E+4n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109279
PNG
(US8609622, 7)
Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C22H22ClF3O7/c23-16-6-3-14(22-19(30)17(28)18(29)20(9-27,33-22)10-32-22)8-13(16)7-12-1-4-15(5-2-12)31-11-21(24,25)26/h1-6,8,17-19,27-30H,7,9-11H2/t17-,18-,19+,20+,22?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.58n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair