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PubMed code 28447791

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239258
PNG
(CHEMBL4070727)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC(F)F)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H23ClF2O7/c1-2-29-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)23)22-19(28)17(26)18(27)21(32-22,11-30-22)31-20(24)25/h3-8,10,17-20,26-28H,2,9,11H2,1H3/t17-,18-,19+,21-,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239257
PNG
(CHEMBL4071777)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OCC#N)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H24ClNO7/c1-2-29-17-6-3-14(4-7-17)11-15-12-16(5-8-18(15)24)23-21(28)19(26)20(27)22(32-23,13-31-23)30-10-9-25/h3-8,12,19-21,26-28H,2,10-11,13H2,1H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239256
PNG
(CHEMBL4082283)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-3-28-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22-20(26)18(24)19(25)21(27-2,30-22)12-29-22/h4-9,11,18-20,24-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
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/a 1.5n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239266
PNG
(CHEMBL4092561)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OCC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H27ClO7/c1-3-28-17-8-5-14(6-9-17)11-15-12-16(7-10-18(15)24)23-21(27)19(25)20(26)22(31-23,13-30-23)29-4-2/h5-10,12,19-21,25-27H,3-4,11,13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239265
PNG
(CHEMBL4073410)
Show SMILES O[C@H]1[C@H](O)[C@@]2(CO[C@@](O2)([C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1)OC(F)F |r|
Show InChI InChI=1S/C24H25ClF2O8/c25-18-6-3-15(24-21(30)19(28)20(29)23(35-24,12-32-24)34-22(26)27)10-14(18)9-13-1-4-16(5-2-13)33-17-7-8-31-11-17/h1-6,10,17,19-22,28-30H,7-9,11-12H2/t17-,19-,20-,21+,23-,24-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239259
PNG
(CHEMBL4097849)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC4CC4)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C24H27ClO7/c1-2-29-17-6-3-14(4-7-17)11-15-12-16(5-10-19(15)25)24-22(28)20(26)21(27)23(32-24,13-30-24)31-18-8-9-18/h3-7,10,12,18,20-22,26-28H,2,8-9,11,13H2,1H3/t20-,21-,22+,23-,24-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239260
PNG
(CHEMBL4090131)
Show SMILES CCOc1ccc(Cc2cccc(c2)[C@]23OC[C@](OC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-3-27-17-9-7-14(8-10-17)11-15-5-4-6-16(12-15)22-20(25)18(23)19(24)21(26-2,29-22)13-28-22/h4-10,12,18-20,23-25H,3,11,13H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239263
PNG
(CHEMBL4063778)
Show SMILES CO[C@@]12CO[C@@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 |r|
Show InChI InChI=1S/C24H27ClO8/c1-29-23-13-31-24(33-23,22(28)20(26)21(23)27)16-4-7-19(25)15(11-16)10-14-2-5-17(6-3-14)32-18-8-9-30-12-18/h2-7,11,18,20-22,26-28H,8-10,12-13H2,1H3/t18-,20-,21-,22+,23-,24-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239261
PNG
(CHEMBL4065901)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r|
Show InChI InChI=1S/C22H24ClFO7/c1-3-29-17-7-4-12(9-16(17)24)8-13-10-14(5-6-15(13)23)22-20(27)18(25)19(26)21(28-2,31-22)11-30-22/h4-7,9-10,18-20,25-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239269
PNG
(CHEMBL4101799)
Show SMILES O[C@H]1[C@H](O)[C@@]2(CO[C@@](O2)([C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1)OC(F)F |r|
Show InChI InChI=1S/C25H27ClF2O8/c26-19-8-3-16(25-22(31)20(29)21(30)24(36-25,13-34-25)35-23(27)28)12-15(19)11-14-1-4-17(5-2-14)32-9-10-33-18-6-7-18/h1-5,8,12,18,20-23,29-31H,6-7,9-11,13H2/t20-,21-,22+,24-,25-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239262
PNG
(CHEMBL4091576)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC(C)C)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r|
Show InChI InChI=1S/C24H28ClFO7/c1-4-30-19-8-5-14(10-18(19)26)9-15-11-16(6-7-17(15)25)24-22(29)20(27)21(28)23(33-24,12-31-24)32-13(2)3/h5-8,10-11,13,20-22,27-29H,4,9,12H2,1-3H3/t20-,21-,22+,23-,24-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239264
PNG
(CHEMBL4083794)
Show SMILES CO[C@@]12CO[C@@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1 |r|
Show InChI InChI=1S/C25H29ClO8/c1-30-24-14-33-25(34-24,23(29)21(27)22(24)28)17-4-9-20(26)16(13-17)12-15-2-5-18(6-3-15)31-10-11-32-19-7-8-19/h2-6,9,13,19,21-23,27-29H,7-8,10-12,14H2,1H3/t21-,22-,23+,24-,25-/m0/s1
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Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239255
PNG
(CHEMBL4076289)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@@](O2)(SC)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO6S/c1-3-27-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22-20(26)18(24)19(25)21(29-22,30-2)12-28-22/h4-9,11,18-20,24-26H,3,10,12H2,1-2H3/t18-,19-,20+,21+,22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239268
PNG
(CHEMBL4093508)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OCC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r|
Show InChI InChI=1S/C23H26ClFO7/c1-3-29-18-8-5-13(10-17(18)25)9-14-11-15(6-7-16(14)24)23-21(28)19(26)20(27)22(32-23,12-31-23)30-4-2/h5-8,10-11,19-21,26-28H,3-4,9,12H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239254
PNG
(CHEMBL4070322)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@@](O2)(Sc2ccccn2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C26H26ClNO6S/c1-2-32-19-9-6-16(7-10-19)13-17-14-18(8-11-20(17)27)26-24(31)22(29)23(30)25(34-26,15-33-26)35-21-5-3-4-12-28-21/h3-12,14,22-24,29-31H,2,13,15H2,1H3/t22-,23-,24+,25+,26-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50239267
PNG
(CHEMBL4062100)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OCCO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H27ClO8/c1-2-29-17-6-3-14(4-7-17)11-15-12-16(5-8-18(15)24)23-21(28)19(26)20(27)22(32-23,13-31-23)30-10-9-25/h3-8,12,19-21,25-28H,2,9-11,13H2,1H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50239258
PNG
(CHEMBL4070727)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC(F)F)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H23ClF2O7/c1-2-29-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)23)22-19(28)17(26)18(27)21(32-22,11-30-22)31-20(24)25/h3-8,10,17-20,26-28H,2,9,11H2,1H3/t17-,18-,19+,21-,22-/m0/s1
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n/an/a 235n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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/a 265n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 392n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50239255
PNG
(CHEMBL4076289)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@@](O2)(SC)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO6S/c1-3-27-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22-20(26)18(24)19(25)21(29-22,30-2)12-28-22/h4-9,11,18-20,24-26H,3,10,12H2,1-2H3/t18-,19-,20+,21+,22-/m0/s1
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n/an/a 453n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 629n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50239254
PNG
(CHEMBL4070322)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@@](O2)(Sc2ccccn2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C26H26ClNO6S/c1-2-32-19-9-6-16(7-10-19)13-17-14-18(8-11-20(17)27)26-24(31)22(29)23(30)25(34-26,15-33-26)35-21-5-3-4-12-28-21/h3-12,14,22-24,29-31H,2,13,15H2,1H3/t22-,23-,24+,25+,26-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50239256
PNG
(CHEMBL4082283)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-3-28-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22-20(26)18(24)19(25)21(27-2,30-22)12-29-22/h4-9,11,18-20,24-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method

J Med Chem 60: 4173-4184 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01818
BindingDB Entry DOI: 10.7270/Q2W37ZFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%