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BDBM50308469 (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol::CHEMBL3125314::CHEMBL3125315::CHEMBL3125459::CHEMBL589305

SMILES: COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=UEHTWMMZNLKDPS-OBKDMQGPSA-N

Data: 10 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 10 hits for monomerid = 50308469   
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


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT1 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs by cell-based topcount scintillation count...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT1 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs by cell-based topcount scintillation count...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT2 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 1.5 hrs by cell-based topcount scintillation cou...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT1 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs by cell-based topcount scintillation count...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT2 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 1.5 hrs by cell-based topcount scintillation cou...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT2 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 1.5 hrs by cell-based topcount scintillation cou...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT2 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 1.5 hrs by cell-based topcount scintillation cou...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of full length human SGLT1 assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs by cell-based topcount scintillation count...


J Med Chem 57: 1236-51 (2014)


Article DOI: 10.1021/jm401780b
BindingDB Entry DOI: 10.7270/Q2D50PF5
More data for this
Ligand-Target Pair