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Compile Data Set for Download or QSAR

Found 204 hits of ec50 for UniProtKB: P31639   
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))		BDBM50346264
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(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/an/an/a 1.10n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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/an/an/a 1.10n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption

J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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/an/an/a 1.10n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50346265
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4-fluo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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/an/an/a 2n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50257797
PNG
((2S,3R,4R,5S,6R)-2-(2-(4-ethylbenzyl)phenyl)-6-(hy...)
Show SMILES CCc1ccc(Cc2ccccc2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5/c1-2-13-7-9-14(10-8-13)11-15-5-3-4-6-16(15)21-20(25)19(24)18(23)17(12-22)26-21/h3-10,17-25H,2,11-12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/an/an/a>2n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption

J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50386885
PNG
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50346266
PNG
((2R,3R,4S,5S,6R)-2-(4-chloro-3-(4-cyclopropylbenzy...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C24H26ClNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(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/an/an/a 2.40n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay

Eur J Med Chem 55: 32-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.053
BindingDB Entry DOI: 10.7270/Q2S183K0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50346267
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4,6-di...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cc(F)cc12 |r|
Show InChI InChI=1S/C24H25F2NO5/c25-16-8-17(26)20-15(7-12-1-3-13(4-2-12)14-5-6-14)10-27(18(20)9-16)24-23(31)22(30)21(29)19(11-28)32-24/h1-4,8-10,14,19,21-24,28-31H,5-7,11H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM150162
PNG
(BI-10773 | Jardiance | US8980829, EMPAGLIFLOZIN | ...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1
Show InChI InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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/an/an/a 3n/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 54: 166-78 (2011)


Article DOI: 10.1021/jm101072y
BindingDB Entry DOI: 10.7270/Q2445NG8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50381537
PNG
(CHEMBL2017954)
Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5/c1-2-13-6-8-14(9-7-13)10-15-4-3-5-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00867
BindingDB Entry DOI: 10.7270/Q2FB570W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 6.60n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption

J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 6.60n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside

Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 9.20n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 9.20n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(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/an/an/a 12n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50346266
PNG
((2R,3R,4S,5S,6R)-2-(4-chloro-3-(4-cyclopropylbenzy...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C24H26ClNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]AMG uptake after 120 mins by scintillation counting method

Bioorg Med Chem 24: 2242-50 (2016)


Article DOI: 10.1016/j.bmc.2016.03.058
BindingDB Entry DOI: 10.7270/Q25D8TQP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50245105
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-methylb...)
Show SMILES Cc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H24O5/c1-12-5-7-13(8-6-12)9-14-3-2-4-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside

Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50245105
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-methylb...)
Show SMILES Cc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H24O5/c1-12-5-7-13(8-6-12)9-14-3-2-4-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption

J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50174677
PNG
((2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5OCCc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C24H27NO7/c26-12-19-21(27)22(28)23(29)24(32-19)31-18-3-1-2-16-20(18)15(11-25-16)6-4-13-5-7-17-14(10-13)8-9-30-17/h1-3,5,7,10-11,19,21-29H,4,6,8-9,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50595440
PNG
(CHEMBL5169442)
Show SMILES CC(=O)NNC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
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n/an/an/an/a 33n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00867
BindingDB Entry DOI: 10.7270/Q2FB570W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50543520
PNG
(CHEMBL4642473)
Show SMILES ONC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C25H29ClN2O4/c26-19-2-1-3-20-22(19)18(10-14-4-6-15(7-5-14)16-8-9-16)13-28(20)21-11-17(12-27-32)23(29)25(31)24(21)30/h1-7,13,16-17,21,23-25,27,29-32H,8-12H2/t17-,21-,23-,24+,25+/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115263
BindingDB Entry DOI: 10.7270/Q2T43XN8
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption

J Med Chem 52: 1785-94 (2009)


Article DOI: 10.1021/jm8013019
BindingDB Entry DOI: 10.7270/Q2F47Q1T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside

Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 35.6n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50511115
PNG
(CHEMBL4552590)
Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O8/c22-11-17-18(25)19(26)20(27)21(29-17)28-16-4-2-1-3-14(16)15(24)10-7-12-5-8-13(23)9-6-12/h1-6,8-9,17-23,25-27H,7,10-11H2/t17-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50285391
PNG
(CHEMBL4164934)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C28H31ClN2O5/c1-2-35-22-11-8-18(9-12-22)14-21-15-20(10-13-23(21)29)28-27(34)26(33)25(32)24(36-28)17-31-30-16-19-6-4-3-5-7-19/h3-13,15,17,24-28,30,32-34H,2,14,16H2,1H3/b31-17+/t24-,25-,26+,27-,28+/m1/s1
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n/an/an/an/a 38n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50161721
PNG
(CHEMBL3787068)
Show SMILES COC(=O)CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C28H31ClN2O7/c1-37-23(33)12-22(32)30-13-21-25(34)26(35)27(36)28(38-21)31-14-18(24-19(29)3-2-4-20(24)31)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,14,17,21,25-28,34-36H,9-13H2,1H3,(H,30,32)/t21-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]AMG uptake after 120 mins by scintillation counting method

Bioorg Med Chem 24: 2242-50 (2016)


Article DOI: 10.1016/j.bmc.2016.03.058
BindingDB Entry DOI: 10.7270/Q25D8TQP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50161654
PNG
(CHEMBL3787515)
Show SMILES CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C12H23NO7/c14-4-2-1-3-9(16)13-5-7-10(17)12(19)11(18)8(6-15)20-7/h7-8,10-12,14-15,17-19H,1-6H2,(H,13,16)
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n/an/an/an/a 42n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]AMG uptake after 120 mins by scintillation counting method

Bioorg Med Chem 24: 2242-50 (2016)


Article DOI: 10.1016/j.bmc.2016.03.058
BindingDB Entry DOI: 10.7270/Q25D8TQP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50285390
PNG
(CHEMBL4176765)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\O)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H24ClNO6/c1-2-28-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(29-21)11-23-27/h3-8,10-11,17-21,24-27H,2,9H2,1H3/b23-11+/t17-,18-,19+,20-,21+/m1/s1
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n/an/an/an/a 46n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50389350
PNG
(CHEMBL2064100)
Show SMILES O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)c1cn(Cc2ccc(cc2)C2CC2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C23H24FNO4/c24-18-3-1-2-16-17(23-22(28)21(27)19(26)12-29-23)11-25(20(16)18)10-13-4-6-14(7-5-13)15-8-9-15/h1-7,11,15,19,21-23,26-28H,8-10,12H2/t19-,21+,22-,23+/m1/s1
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n/an/an/an/a 47n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay

Eur J Med Chem 55: 32-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.053
BindingDB Entry DOI: 10.7270/Q2S183K0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50389351
PNG
(CHEMBL2064101)
Show SMILES Cc1cccc2c(cn(Cc3ccc(cc3)C3CC3)c12)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H27NO4/c1-14-3-2-4-18-19(24-23(28)22(27)20(26)13-29-24)12-25(21(14)18)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,12,17,20,22-24,26-28H,9-11,13H2,1H3/t20-,22+,23-,24+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay

Eur J Med Chem 55: 32-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.053
BindingDB Entry DOI: 10.7270/Q2S183K0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in Xenopus oocyte assessed as [14C]-alpha-methyl glucopyranoside uptake

Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50285402
PNG
(CHEMBL4173627)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CNOC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28ClNO6/c1-3-29-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)23)22-21(27)20(26)19(25)18(30-22)12-24-28-2/h4-9,11,18-22,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/an/an/a 63n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50595445
PNG
(CHEMBL5208273)
Show SMILES COC(=O)NNC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
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n/an/an/an/a 63n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00867
BindingDB Entry DOI: 10.7270/Q2FB570W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50285394
PNG
(CHEMBL4168847)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(=O)c3ccc(Cl)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O6/c1-2-37-21-10-3-16(4-11-21)13-19-14-18(7-12-22(19)30)27-26(35)25(34)24(33)23(38-27)15-31-32-28(36)17-5-8-20(29)9-6-17/h3-12,14-15,23-27,33-35H,2,13H2,1H3,(H,32,36)/b31-15+/t23-,24-,25+,26-,27+/m1/s1
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n/an/an/an/a 65n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50174679
PNG
((2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-...)
Show SMILES Cn1cc(CCc2ccc3OCCc3c2)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12
Show InChI InChI=1S/C25H29NO7/c1-26-12-16(7-5-14-6-8-18-15(11-14)9-10-31-18)21-17(26)3-2-4-19(21)32-25-24(30)23(29)22(28)20(13-27)33-25/h2-4,6,8,11-12,20,22-25,27-30H,5,7,9-10,13H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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n/an/an/an/a 67n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...

J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50244462
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylth...)
Show SMILES Cc1ccc(Sc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H22O5S/c1-11-5-7-13(8-6-11)25-14-4-2-3-12(9-14)19-18(23)17(22)16(21)15(10-20)24-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19+/m1/s1
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n/an/an/an/a 69n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside

Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 77n/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-AMG uptake up to 120 mins by scintillation counting method

Bioorg Med Chem 21: 6282-91 (2013)


Article DOI: 10.1016/j.bmc.2013.08.067
BindingDB Entry DOI: 10.7270/Q29G5P80
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/an/a 79n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human glucocorticoid receptor

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50389349
PNG
(CHEMBL2064099)
Show SMILES O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)c1cn(Cc2ccc(cc2)C2CC2)c2ccccc12 |r|
Show InChI InChI=1S/C23H25NO4/c25-20-13-28-23(22(27)21(20)26)18-12-24(19-4-2-1-3-17(18)19)11-14-5-7-15(8-6-14)16-9-10-16/h1-8,12,16,20-23,25-27H,9-11,13H2/t20-,21+,22-,23+/m1/s1
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n/an/an/an/a 87n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay

Eur J Med Chem 55: 32-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.053
BindingDB Entry DOI: 10.7270/Q2S183K0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50285389
PNG
(CHEMBL4172842)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NCCO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29ClN2O6/c1-2-31-17-6-3-14(4-7-17)11-16-12-15(5-8-18(16)24)23-22(30)21(29)20(28)19(32-23)13-26-25-9-10-27/h3-8,12-13,19-23,25,27-30H,2,9-11H2,1H3/b26-13+/t19-,20-,21+,22-,23+/m1/s1
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n/an/an/an/a 88n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method

Eur J Med Chem 143: 611-620 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.019
BindingDB Entry DOI: 10.7270/Q2MK6GFZ
More data for this
Ligand-Target Pair
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