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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'klenotic' and Initial = 'mk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 0.877n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 0.882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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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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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 1.11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Rattus norvegicus)
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT2


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313364
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.5n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313371
PNG
((2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-11-17(22)18(23)19(24)20(26-11)13-5-8-16(21)14(10-13)9-12-3-6-15(25-2)7-4-12/h3-8,10-11,17-20,22-24H,9H2,1-2H3/t11-,17-,18+,19-,20+/m1/s1
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n/an/a 2.40n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 3n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313367
PNG
((6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(28-21)12-27-13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 3.40n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313384
PNG
((2S,3R,4R,5S,6S)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CF)c1ccc(Cl)c(Cc2ccc(OC)cc2)c1 |r|
Show InChI InChI=1S/C21H24ClFO5/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-18(24)19(25)21(27-2)17(11-23)28-20/h3-8,10,17-21,24-25H,9,11H2,1-2H3/t17-,18-,19-,20+,21-/m1/s1
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n/an/a 5.10n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 6.60n/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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 6.98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313375
PNG
((5S,6R,7R,8S)-5-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O5/c1-13-3-6-15(12-16(13)11-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(27-20)9-10-22/h3-8,12,18-21,23-25H,9-11H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 7.90n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313377
PNG
((6S,7R,8R,9S)-6-[3-(4-Ethyl-benzyl)-4-methyl-pheny...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CS(=O)(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O6S/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(29-21)12-30(27,28)13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 14n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313381
PNG
((2S,3R,4S,6S)-2-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-25-15-5-2-12(3-6-15)8-14-9-13(4-7-17(14)21)20-19(24)18(23)10-16(11-22)26-20/h2-7,9,16,18-20,22-24H,8,10-11H2,1H3/t16-,18-,19+,20-/m0/s1
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n/an/a 21n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313369
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H23ClO6/c1-26-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(23)18(24)20(25)21(28-19)10-27-11-21/h2-7,9,17-20,23-25H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 23n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313370
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-28-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)23)20-18(24)19(25)21(26)22(29-20)11-27-12-22/h3-8,10,18-21,24-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+/m1/s1
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n/an/a 32n/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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 43.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313373
PNG
((5R,7S,8R,9R,10S)-7-(3-(4-ethylbenzyl)-4-methylphe...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@]3(CCCO3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H30O5/c1-3-16-6-8-17(9-7-16)13-19-14-18(10-5-15(19)2)22-20(25)21(26)23(27)24(29-22)11-4-12-28-24/h5-10,14,20-23,25-27H,3-4,11-13H2,1-2H3/t20-,21-,22+,23+,24-/m1/s1
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n/an/a 53n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313372
PNG
((3S,4R,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-28-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(25)18(26)20(27)21(10-23,11-24)29-19/h2-7,9,17-20,23-27H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 59n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313371
PNG
((2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-11-17(22)18(23)19(24)20(26-11)13-5-8-16(21)14(10-13)9-12-3-6-15(25-2)7-4-12/h3-8,10-11,17-20,22-24H,9H2,1-2H3/t11-,17-,18+,19-,20+/m1/s1
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n/an/a 73n/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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 89.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313382
PNG
((2S,3R,4R,5R,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19+,20+,21-,22+/m1/s1
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n/an/a 139n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313378
PNG
((2R,3S,4S,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ccc(Cl)c(Cc2ccc(OC)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-21(27-2)19(25)18(24)17(11-23)28-20/h3-8,10,17-21,23-25H,9,11H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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n/an/a 140n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313383
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ccc(OC)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-18(24)19(25)21(27-2)17(11-23)28-20/h3-8,10,17-21,23-25H,9,11H2,1-2H3/t17-,18-,19-,20+,21-/m1/s1
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n/an/a 180n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 190n/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 (SGLT1)


(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 (SGLT1)


(Homo sapiens (Human))
BDBM50313375
PNG
((5S,6R,7R,8S)-5-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O5/c1-13-3-6-15(12-16(13)11-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(27-20)9-10-22/h3-8,12,18-21,23-25H,9-11H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 370n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 506n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 546n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 958n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313365
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenz...)
Show SMILES CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6/c1-3-15-6-8-16(9-7-15)10-18-11-17(5-4-14(18)2)13-28-23-22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m1/s1
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n/an/a 1.00E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313373
PNG
((5R,7S,8R,9R,10S)-7-(3-(4-ethylbenzyl)-4-methylphe...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@]3(CCCO3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H30O5/c1-3-16-6-8-17(9-7-16)13-19-14-18(10-5-15(19)2)22-20(25)21(26)23(27)24(29-22)11-4-12-28-24/h5-10,14,20-23,25-27H,3-4,11-13H2,1-2H3/t20-,21-,22+,23+,24-/m1/s1
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n/an/a 1.10E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.20E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313367
PNG
((6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(28-21)12-27-13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 1.50E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 1.54E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313379
PNG
((2S,3R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)C[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)22-20(25)12-19(24)21(13-23)26-22/h4-9,11,19-25H,3,10,12-13H2,1-2H3/t19-,20+,21+,22-/m0/s1
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n/an/a 2.00E+3n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313380
PNG
((2S,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20-,21-,22+/m1/s1
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n/an/a 3.70E+3n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313376
PNG
((6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CNC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29NO4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(25)20(26)22(27)23(28-21)12-24-13-23/h4-9,11,19-22,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 5.10E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313370
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-28-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)23)20-18(24)19(25)21(26)22(29-20)11-27-12-22/h3-8,10,18-21,24-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+/m1/s1
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n/an/a 5.60E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313372
PNG
((3S,4R,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-28-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(25)18(26)20(27)21(10-23,11-24)29-19/h2-7,9,17-20,23-27H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 6.80E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50313369
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H23ClO6/c1-26-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(23)18(24)20(25)21(28-19)10-27-11-21/h2-7,9,17-20,23-25H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a>9.60E+3n/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 (SGLT1)


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313366
PNG
((2R,3S,4R,6R)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)cc1 |r|
Show InChI InChI=1S/C22H28O4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)20-12-19(24)22(25)21(13-23)26-20/h4-9,11,19-25H,3,10,12-13H2,1-2H3/t19-,20-,21-,22+/m1/s1
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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 (SGLT1)


(Homo sapiens (Human))
BDBM50313376
PNG
((6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CNC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29NO4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(25)20(26)22(27)23(28-21)12-24-13-23/h4-9,11,19-22,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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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
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