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BDBM109275 US8609622, 2

SMILES: COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F

InChI Key: InChIKey=ULTLQRPKEDOYSJ-WRTQPQOASA-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 = 109275   
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


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
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PC sid
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Similars

US Patent
n/an/a 1.42n/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
Solute carrier family 5 (Sodium/glucose cotransporter), member 1


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
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US Patent
n/an/a>2.00E+3n/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/glucose cotransporter 2


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.65n/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
Solute carrier family 5 (Sodium/glucose cotransporter), member 1


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 600n/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