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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'chang' and Initial = 'we'   
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 1


(Homo sapiens (Human))
BDBM50161493
PNG
(CHEMBL3786347)
Show SMILES COC(=O)C(=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/C27H29ClN2O7/c1-36-27(35)25(34)29-12-20-22(31)23(32)24(33)26(37-20)30-13-17(21-18(28)3-2-4-19(21)30)11-14-5-7-15(8-6-14)16-9-10-16/h2-8,13,16,20,22-24,26,31-33H,9-12H2,1H3,(H,29,34)/t20-,22-,23+,24-,26-/m1/s1
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n/an/an/an/a 5.76E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(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 153n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(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 1.41E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161655
PNG
(CHEMBL3785403)
Show SMILES 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/C24H27ClN2O4/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)12-27(18)24-23(30)22(29)21(28)19(11-26)31-24/h1-7,12,15,19,21-24,28-30H,8-11,26H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 2.03E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161656
PNG
(CHEMBL3786435)
Show SMILES COC(=O)c1cn(C[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)n2cc(Cc3ccc(cc3)C3CC3)c3c(Cl)cccc23)nn1 |r|
Show InChI InChI=1S/C28H29ClN4O6/c1-38-28(37)20-13-32(31-30-20)14-22-24(34)25(35)26(36)27(39-22)33-12-18(23-19(29)3-2-4-21(23)33)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,12-13,17,22,24-27,34-36H,9-11,14H2,1H3/t22-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 1.86E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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))
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 123n/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
3D
3D Structure (crystal)
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))
BDBM50335145
PNG
(4-Chloro-3-(4-cyclopropylbenzyl)-1-(beta-D-xylopyr...)
Show SMILES O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C23H24ClNO4/c24-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-25(18)23-22(28)21(27)19(26)12-29-23/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 203n/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))
BDBM50161657
PNG
(CHEMBL3785653)
Show SMILES O[C@@H]1[C@@H](CNC(=S)Nc2ccc(Cl)cc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C31H31Cl2N3O4S/c32-21-10-12-22(13-11-21)35-31(41)34-15-25-27(37)28(38)29(39)30(40-25)36-16-20(26-23(33)2-1-3-24(26)36)14-17-4-6-18(7-5-17)19-8-9-19/h1-7,10-13,16,19,25,27-30,37-39H,8-9,14-15H2,(H2,34,35,41)/t25-,27-,28+,29-,30-/m1/s1
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n/an/an/an/a 485n/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))
BDBM50161658
PNG
(CHEMBL3787665)
Show SMILES COCCCNC(=S)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/C29H36ClN3O5S/c1-37-13-3-12-31-29(39)32-15-23-25(34)26(35)27(36)28(38-23)33-16-20(24-21(30)4-2-5-22(24)33)14-17-6-8-18(9-7-17)19-10-11-19/h2,4-9,16,19,23,25-28,34-36H,3,10-15H2,1H3,(H2,31,32,39)/t23-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 586n/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))
BDBM50161661
PNG
(CHEMBL3787475)
Show SMILES CCOC(=O)CNC(=S)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/C29H34ClN3O6S/c1-2-38-23(34)14-32-29(40)31-13-22-25(35)26(36)27(37)28(39-22)33-15-19(24-20(30)4-3-5-21(24)33)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,15,18,22,25-28,35-37H,2,10-14H2,1H3,(H2,31,32,40)/t22-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 286n/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))
BDBM50161663
PNG
(CHEMBL3787490)
Show SMILES CCNC(=S)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/C27H32ClN3O4S/c1-2-29-27(36)30-13-21-23(32)24(33)25(34)26(35-21)31-14-18(22-19(28)4-3-5-20(22)31)12-15-6-8-16(9-7-15)17-10-11-17/h3-9,14,17,21,23-26,32-34H,2,10-13H2,1H3,(H2,29,30,36)/t21-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 716n/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))
BDBM50161666
PNG
(CHEMBL3787623)
Show SMILES CNC(=S)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/C26H30ClN3O4S/c1-28-26(35)29-12-20-22(31)23(32)24(33)25(34-20)30-13-17(21-18(27)3-2-4-19(21)30)11-14-5-7-15(8-6-14)16-9-10-16/h2-8,13,16,20,22-25,31-33H,9-12H2,1H3,(H2,28,29,35)/t20-,22-,23+,24-,25-/m1/s1
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n/an/an/an/a 315n/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))
BDBM50161667
PNG
(CHEMBL3786161)
Show SMILES CCOC(=O)NC(=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/C28H32ClN3O7/c1-2-38-28(37)31-27(36)30-13-21-23(33)24(34)25(35)26(39-21)32-14-18(22-19(29)4-3-5-20(22)32)12-15-6-8-16(9-7-15)17-10-11-17/h3-9,14,17,21,23-26,33-35H,2,10-13H2,1H3,(H2,30,31,36,37)/t21-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 1.00E+3n/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))
BDBM50161699
PNG
(CHEMBL3785266)
Show SMILES CCOC(=O)CNC(=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/C29H34ClN3O7/c1-2-39-23(34)14-32-29(38)31-13-22-25(35)26(36)27(37)28(40-22)33-15-19(24-20(30)4-3-5-21(24)33)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,15,18,22,25-28,35-37H,2,10-14H2,1H3,(H2,31,32,38)/t22-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 515n/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))
BDBM50161716
PNG
(CHEMBL3785254)
Show SMILES O[C@@H]1[C@@H](CNC(=O)NCCCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C28H33Cl2N3O5/c29-11-2-12-31-28(37)32-14-22-24(34)25(35)26(36)27(38-22)33-15-19(23-20(30)3-1-4-21(23)33)13-16-5-7-17(8-6-16)18-9-10-18/h1,3-8,15,18,22,24-27,34-36H,2,9-14H2,(H2,31,32,37)/t22-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 151n/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))
BDBM50161717
PNG
(CHEMBL3787542)
Show SMILES O[C@@H]1[C@@H](CNC(=O)NCCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C27H31Cl2N3O5/c28-10-11-30-27(36)31-13-21-23(33)24(34)25(35)26(37-21)32-14-18(22-19(29)2-1-3-20(22)32)12-15-4-6-16(7-5-15)17-8-9-17/h1-7,14,17,21,23-26,33-35H,8-13H2,(H2,30,31,36)/t21-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 598n/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))
BDBM50161718
PNG
(CHEMBL3786183)
Show SMILES O[C@@H]1[C@@H](CNC(=O)CC(O)=O)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C27H29ClN2O7/c28-18-2-1-3-19-23(18)17(10-14-4-6-15(7-5-14)16-8-9-16)13-30(19)27-26(36)25(35)24(34)20(37-27)12-29-21(31)11-22(32)33/h1-7,13,16,20,24-27,34-36H,8-12H2,(H,29,31)(H,32,33)/t20-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 3.44E+3n/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))
BDBM50161719
PNG
(CHEMBL3785446)
Show SMILES CCOC(=O)CCC(=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/C30H35ClN2O7/c1-2-39-25(35)13-12-24(34)32-15-23-27(36)28(37)29(38)30(40-23)33-16-20(26-21(31)4-3-5-22(26)33)14-17-6-8-18(9-7-17)19-10-11-19/h3-9,16,19,23,27-30,36-38H,2,10-15H2,1H3,(H,32,34)/t23-,27-,28+,29-,30-/m1/s1
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n/an/an/an/a 588n/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))
BDBM50161720
PNG
(CHEMBL3787651)
Show SMILES CCOC(=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/C29H33ClN2O7/c1-2-38-24(34)13-23(33)31-14-22-26(35)27(36)28(37)29(39-22)32-15-19(25-20(30)4-3-5-21(25)32)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,15,18,22,26-29,35-37H,2,10-14H2,1H3,(H,31,33)/t22-,26-,27+,28-,29-/m1/s1
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n/an/an/an/a 118n/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))
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))
BDBM50161722
PNG
(CHEMBL3785234)
Show SMILES CCOC(=O)C(=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/c1-2-37-28(36)26(35)30-13-21-23(32)24(33)25(34)27(38-21)31-14-18(22-19(29)4-3-5-20(22)31)12-15-6-8-16(9-7-15)17-10-11-17/h3-9,14,17,21,23-25,27,32-34H,2,10-13H2,1H3,(H,30,35)/t21-,23-,24+,25-,27-/m1/s1
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n/an/an/an/a 249n/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))
BDBM50161493
PNG
(CHEMBL3786347)
Show SMILES COC(=O)C(=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/C27H29ClN2O7/c1-36-27(35)25(34)29-12-20-22(31)23(32)24(33)26(37-20)30-13-17(21-18(28)3-2-4-19(21)30)11-14-5-7-15(8-6-14)16-9-10-16/h2-8,13,16,20,22-24,26,31-33H,9-12H2,1H3,(H,29,34)/t20-,22-,23+,24-,26-/m1/s1
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n/an/an/an/a 284n/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))
BDBM50161723
PNG
(CHEMBL3786809)
Show SMILES O[C@@H]1[C@@H](CNC(=O)CSc2ccccc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C32H33ClN2O5S/c33-24-7-4-8-25-28(24)22(15-19-9-11-20(12-10-19)21-13-14-21)17-35(25)32-31(39)30(38)29(37)26(40-32)16-34-27(36)18-41-23-5-2-1-3-6-23/h1-12,17,21,26,29-32,37-39H,13-16,18H2,(H,34,36)/t26-,29-,30+,31-,32-/m1/s1
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n/an/an/an/a 2.09E+3n/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))
BDBM50161724
PNG
(CHEMBL3786041)
Show SMILES O[C@@H]1[C@@H](CNC(=O)Cc2cccs2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C30H31ClN2O5S/c31-22-4-1-5-23-26(22)20(13-17-6-8-18(9-7-17)19-10-11-19)16-33(23)30-29(37)28(36)27(35)24(38-30)15-32-25(34)14-21-3-2-12-39-21/h1-9,12,16,19,24,27-30,35-37H,10-11,13-15H2,(H,32,34)/t24-,27-,28+,29-,30-/m1/s1
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n/an/an/an/a 499n/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))
BDBM50161725
PNG
(CHEMBL3785202)
Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccno2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C28H28ClN3O6/c29-19-2-1-3-20-23(19)18(12-15-4-6-16(7-5-15)17-8-9-17)14-32(20)28-26(35)25(34)24(33)22(37-28)13-30-27(36)21-10-11-31-38-21/h1-7,10-11,14,17,22,24-26,28,33-35H,8-9,12-13H2,(H,30,36)/t22-,24-,25+,26-,28-/m1/s1
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n/an/an/an/a 387n/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))
BDBM50161726
PNG
(CHEMBL3785193)
Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccc(CCl)cc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C32H32Cl2N2O5/c33-15-19-6-10-22(11-7-19)31(40)35-16-26-28(37)29(38)30(39)32(41-26)36-17-23(27-24(34)2-1-3-25(27)36)14-18-4-8-20(9-5-18)21-12-13-21/h1-11,17,21,26,28-30,32,37-39H,12-16H2,(H,35,40)/t26-,28-,29+,30-,32-/m1/s1
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n/an/an/an/a 2.59E+3n/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))
BDBM50161727
PNG
(CHEMBL3785439)
Show SMILES COc1ccc(cc1)C(=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/C32H33ClN2O6/c1-40-23-13-11-21(12-14-23)31(39)34-16-26-28(36)29(37)30(38)32(41-26)35-17-22(27-24(33)3-2-4-25(27)35)15-18-5-7-19(8-6-18)20-9-10-20/h2-8,11-14,17,20,26,28-30,32,36-38H,9-10,15-16H2,1H3,(H,34,39)/t26-,28-,29+,30-,32-/m1/s1
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n/an/an/an/a 2.37E+3n/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))
BDBM50161728
PNG
(CHEMBL3786014)
Show SMILES O[C@@H]1[C@@H](CNC(=O)C2CC2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C28H31ClN2O5/c29-20-2-1-3-21-23(20)19(12-15-4-6-16(7-5-15)17-8-9-17)14-31(21)28-26(34)25(33)24(32)22(36-28)13-30-27(35)18-10-11-18/h1-7,14,17-18,22,24-26,28,32-34H,8-13H2,(H,30,35)/t22-,24-,25+,26-,28-/m1/s1
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n/an/an/an/a 552n/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))
BDBM50161729
PNG
(CHEMBL3786441)
Show SMILES CC(C)C(=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/C28H33ClN2O5/c1-15(2)27(35)30-13-22-24(32)25(33)26(34)28(36-22)31-14-19(23-20(29)4-3-5-21(23)31)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,14-15,18,22,24-26,28,32-34H,10-13H2,1-2H3,(H,30,35)/t22-,24-,25+,26-,28-/m1/s1
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n/an/an/an/a 649n/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))
BDBM50161730
PNG
(CHEMBL3785936)
Show SMILES O[C@H]1[C@H](O)[C@@H](CNC(=O)CCBr)O[C@H]([C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C27H30BrClN2O5/c28-11-10-22(32)30-13-21-24(33)25(34)26(35)27(36-21)31-14-18(23-19(29)2-1-3-20(23)31)12-15-4-6-16(7-5-15)17-8-9-17/h1-7,14,17,21,24-27,33-35H,8-13H2,(H,30,32)/t21-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 151n/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))
BDBM50161731
PNG
(CHEMBL3786935)
Show SMILES O[C@@H]1[C@@H](CNC(=O)CCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C27H30Cl2N2O5/c28-11-10-22(32)30-13-21-24(33)25(34)26(35)27(36-21)31-14-18(23-19(29)2-1-3-20(23)31)12-15-4-6-16(7-5-15)17-8-9-17/h1-7,14,17,21,24-27,33-35H,8-13H2,(H,30,32)/t21-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 160n/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))
BDBM50161732
PNG
(CHEMBL3786954)
Show SMILES O[C@@H]1[C@@H](CNC(=O)C(Cl)Cl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C26H27Cl3N2O5/c27-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)12-31(18)26-23(34)22(33)21(32)19(36-26)11-30-25(35)24(28)29/h1-7,12,15,19,21-24,26,32-34H,8-11H2,(H,30,35)/t19-,21-,22+,23-,26-/m1/s1
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n/an/an/an/a 184n/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))
BDBM50161652
PNG
(CHEMBL3785293)
Show SMILES O[C@@H]1[C@@H](CNC(=O)CCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C26H28Cl2N2O5/c27-11-21(31)29-12-20-23(32)24(33)25(34)26(35-20)30-13-17(22-18(28)2-1-3-19(22)30)10-14-4-6-15(7-5-14)16-8-9-16/h1-7,13,16,20,23-26,32-34H,8-12H2,(H,29,31)/t20-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 113n/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))
BDBM50161655
PNG
(CHEMBL3785403)
Show SMILES 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/C24H27ClN2O4/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)12-27(18)24-23(30)22(29)21(28)19(11-26)31-24/h1-7,12,15,19,21-24,28-30H,8-11,26H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 237n/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))
BDBM50161733
PNG
(CHEMBL3787647)
Show SMILES O[C@@H]1[C@@H](Cn2cc(nn2)C(O)=O)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C27H27ClN4O6/c28-18-2-1-3-20-22(18)17(10-14-4-6-15(7-5-14)16-8-9-16)11-32(20)26-25(35)24(34)23(33)21(38-26)13-31-12-19(27(36)37)29-30-31/h1-7,11-12,16,21,23-26,33-35H,8-10,13H2,(H,36,37)/t21-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 2.72E+3n/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))
BDBM50161656
PNG
(CHEMBL3786435)
Show SMILES COC(=O)c1cn(C[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)n2cc(Cc3ccc(cc3)C3CC3)c3c(Cl)cccc23)nn1 |r|
Show InChI InChI=1S/C28H29ClN4O6/c1-38-28(37)20-13-32(31-30-20)14-22-24(34)25(35)26(36)27(39-22)33-12-18(23-19(29)3-2-4-21(23)33)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,12-13,17,22,24-27,34-36H,9-11,14H2,1H3/t22-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 119n/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))
BDBM50161734
PNG
(CHEMBL3787102)
Show SMILES CCOc1cn(C[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)n2cc(Cc3ccc(cc3)C3CC3)c3c(Cl)cccc23)nn1 |r|
Show InChI InChI=1S/C28H31ClN4O5/c1-2-37-23-15-32(31-30-23)14-22-25(34)26(35)27(36)28(38-22)33-13-19(24-20(29)4-3-5-21(24)33)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,13,15,18,22,25-28,34-36H,2,10-12,14H2,1H3/t22-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 655n/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))
BDBM50161735
PNG
(CHEMBL3786186)
Show SMILES O[C@@H]1[C@@H](Cn2cc(nn2)C2CCCC2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C31H35ClN4O4/c32-23-6-3-7-25-27(23)22(14-18-8-10-19(11-9-18)20-12-13-20)15-36(25)31-30(39)29(38)28(37)26(40-31)17-35-16-24(33-34-35)21-4-1-2-5-21/h3,6-11,15-16,20-21,26,28-31,37-39H,1-2,4-5,12-14,17H2/t26-,28-,29+,30-,31-/m1/s1
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n/an/an/an/a 1.59E+3n/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))
BDBM50161736
PNG
(CHEMBL3785614)
Show SMILES O[C@@H]1[C@@H](Cn2cc(nn2)C2CC2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C29H31ClN4O4/c30-21-2-1-3-23-25(21)20(12-16-4-6-17(7-5-16)18-8-9-18)13-34(23)29-28(37)27(36)26(35)24(38-29)15-33-14-22(31-32-33)19-10-11-19/h1-7,13-14,18-19,24,26-29,35-37H,8-12,15H2/t24-,26-,27+,28-,29-/m1/s1
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n/an/an/an/a 359n/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 1


(Homo sapiens (Human))
BDBM50161722
PNG
(CHEMBL3785234)
Show SMILES CCOC(=O)C(=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/c1-2-37-28(36)26(35)30-13-21-23(32)24(33)25(34)27(38-21)31-14-18(22-19(29)4-3-5-20(22)31)12-15-6-8-16(9-7-15)17-10-11-17/h3-9,14,17,21,23-25,27,32-34H,2,10-13H2,1H3,(H,30,35)/t21-,23-,24+,25-,27-/m1/s1
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n/an/an/an/a 4.69E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(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 5.42E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161720
PNG
(CHEMBL3787651)
Show SMILES CCOC(=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/C29H33ClN2O7/c1-2-38-24(34)13-23(33)31-14-22-26(35)27(36)28(37)29(39-22)32-15-19(25-20(30)4-3-5-21(25)32)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,15,18,22,26-29,35-37H,2,10-14H2,1H3,(H,31,33)/t22-,26-,27+,28-,29-/m1/s1
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n/an/an/an/a 3.81E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161716
PNG
(CHEMBL3785254)
Show SMILES O[C@@H]1[C@@H](CNC(=O)NCCCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C28H33Cl2N3O5/c29-11-2-12-31-28(37)32-14-22-24(34)25(35)26(36)27(38-22)33-15-19(23-20(30)3-1-4-21(23)33)13-16-5-7-17(8-6-16)18-9-10-18/h1,3-8,15,18,22,24-27,34-36H,2,9-14H2,(H2,31,32,37)/t22-,24-,25+,26-,27-/m1/s1
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n/an/an/an/a 874n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161661
PNG
(CHEMBL3787475)
Show SMILES CCOC(=O)CNC(=S)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/C29H34ClN3O6S/c1-2-38-23(34)14-32-29(40)31-13-22-25(35)26(36)27(37)28(39-22)33-15-19(24-20(30)4-3-5-21(24)33)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,15,18,22,25-28,35-37H,2,10-14H2,1H3,(H2,31,32,40)/t22-,25-,26+,27-,28-/m1/s1
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n/an/an/an/a 845n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50335145
PNG
(4-Chloro-3-(4-cyclopropylbenzyl)-1-(beta-D-xylopyr...)
Show SMILES O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C23H24ClNO4/c24-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-25(18)23-22(28)21(27)19(26)12-29-23/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 488n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(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 27n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1


(Homo sapiens (Human))
BDBM50161652
PNG
(CHEMBL3785293)
Show SMILES O[C@@H]1[C@@H](CNC(=O)CCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C26H28Cl2N2O5/c27-11-21(31)29-12-20-23(32)24(33)25(34)26(35-20)30-13-17(22-18(28)2-1-3-19(22)30)10-14-4-6-15(7-5-14)16-8-9-16/h1-7,13,16,20,23-26,32-34H,8-12H2,(H,29,31)/t20-,23-,24+,25-,26-/m1/s1
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n/an/an/an/a 3.05E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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