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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50031903   
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))
BDBM50321299
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h1,5-8,11-12,21-25,27-30H,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321300
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethoxybenzyl)-2-...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-3-31-17-6-4-14(5-7-17)10-16-11-18(15(8-9-30-2)12-19(16)25)24-23(29)22(28)21(27)20(13-26)32-24/h4-7,11-12,20-24,26-29H,3,8-10,13H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321288
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C23H29ClO6/c1-3-13-4-6-14(7-5-13)8-15-9-17(16(12-29-2)10-18(15)24)23-22(28)21(27)20(26)19(11-25)30-23/h4-7,9-10,19-23,25-28H,3,8,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321290
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,26-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321292
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCF)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H30ClFO6/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,27-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50265139
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethylbenzyl)phen...)
Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/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 1.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321293
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-2-((2,2-difluoroethox...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H29ClF2O6/c1-2-13-3-5-14(6-4-13)7-15-8-17(16(9-18(15)25)11-32-12-20(26)27)24-23(31)22(30)21(29)19(10-28)33-24/h3-6,8-9,19-24,28-31H,2,7,10-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321291
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCOC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-3-15-4-6-16(7-5-15)10-17-11-19(18(12-20(17)26)14-32-9-8-31-2)25-24(30)23(29)22(28)21(13-27)33-25/h4-7,11-12,21-25,27-30H,3,8-10,13-14H2,1-2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321296
PNG
(1-(5-chloro-4-(4-ethylbenzyl)-2-((2S,3R,4R,5S,6R)-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)=O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClO7/c1-3-15-4-6-16(7-5-15)8-17-9-19(18(10-20(17)26)13-32-12-14(2)28)25-24(31)23(30)22(29)21(11-27)33-25/h4-7,9-10,21-25,27,29-31H,3,8,11-13H2,1-2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50303240
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethoxybenzyl)-6...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-15-5-3-12(4-6-15)7-13-8-16-14(9-17(13)23)11-29-22(16)21(27)20(26)19(25)18(10-24)30-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
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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Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321302
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H31ClO6/c1-3-10-32-11-9-18-14-21(27)19(12-17-7-5-16(4-2)6-8-17)13-20(18)26-25(31)24(30)23(29)22(15-28)33-26/h1,5-8,13-14,22-26,28-31H,4,9-12,15H2,2H3/t22-,23-,24+,25-,26+/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321301
PNG
((2S,3R,4R,5S,6R)-2-(2-(2-(allyloxy)ethyl)-4-chloro...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOCC=C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H33ClO6/c1-3-10-32-11-9-18-14-21(27)19(12-17-7-5-16(4-2)6-8-17)13-20(18)26-25(31)24(30)23(29)22(15-28)33-26/h3,5-8,13-14,22-26,28-31H,1,4,9-12,15H2,2H3/t22-,23-,24+,25-,26+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321297
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-3-15-4-6-16(7-5-15)8-17-9-19(18(10-20(17)26)13-32-12-14(2)28)25-24(31)23(30)22(29)21(11-27)33-25/h4-7,9-10,14,21-25,27-31H,3,8,11-13H2,1-2H3/t14?,21-,22-,23+,24-,25+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321289
PNG
((2S,3R,4R,5S,6R)-2-(2-(allyloxymethyl)-4-chloro-5-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC=C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h3,5-8,11-12,21-25,27-30H,1,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321295
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-2-15-4-6-16(7-5-15)10-17-11-19(18(12-20(17)26)14-32-9-3-8-27)25-24(31)23(30)22(29)21(13-28)33-25/h4-7,11-12,21-25,27-31H,2-3,8-10,13-14H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321298
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-2-((2,2-difluoropropo...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClF2O6/c1-3-14-4-6-15(7-5-14)8-16-9-18(17(10-19(16)26)12-33-13-25(2,27)28)24-23(32)22(31)21(30)20(11-29)34-24/h4-7,9-10,20-24,29-32H,3,8,11-13H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321294
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H28ClF3O6/c1-2-13-3-5-14(6-4-13)7-15-8-17(16(9-18(15)25)11-33-12-24(26,27)28)23-22(32)21(31)20(30)19(10-29)34-23/h3-6,8-9,19-23,29-32H,2,7,10-12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50265139
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethylbenzyl)phen...)
Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/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 720n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
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 890n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321299
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h1,5-8,11-12,21-25,27-30H,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50303240
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethoxybenzyl)-6...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-15-5-3-12(4-6-15)7-13-8-16-14(9-17(13)23)11-29-22(16)21(27)20(26)19(25)18(10-24)30-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321288
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C23H29ClO6/c1-3-13-4-6-14(7-5-13)8-15-9-17(16(12-29-2)10-18(15)24)23-22(28)21(27)20(26)19(11-25)30-23/h4-7,9-10,19-23,25-28H,3,8,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321300
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethoxybenzyl)-2-...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-3-31-17-6-4-14(5-7-17)10-16-11-18(15(8-9-30-2)12-19(16)25)24-23(29)22(28)21(27)20(13-26)32-24/h4-7,11-12,20-24,26-29H,3,8-10,13H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321290
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,26-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321292
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCF)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H30ClFO6/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,27-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321293
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-2-((2,2-difluoroethox...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H29ClF2O6/c1-2-13-3-5-14(6-4-13)7-15-8-17(16(9-18(15)25)11-32-12-20(26)27)24-23(31)22(30)21(29)19(10-28)33-24/h3-6,8-9,19-24,28-31H,2,7,10-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321296
PNG
(1-(5-chloro-4-(4-ethylbenzyl)-2-((2S,3R,4R,5S,6R)-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)=O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClO7/c1-3-15-4-6-16(7-5-15)8-17-9-19(18(10-20(17)26)13-32-12-14(2)28)25-24(31)23(30)22(29)21(11-27)33-25/h4-7,9-10,21-25,27,29-31H,3,8,11-13H2,1-2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321291
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCOC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-3-15-4-6-16(7-5-15)10-17-11-19(18(12-20(17)26)14-32-9-8-31-2)25-24(30)23(29)22(28)21(13-27)33-25/h4-7,11-12,21-25,27-30H,3,8-10,13-14H2,1-2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321302
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H31ClO6/c1-3-10-32-11-9-18-14-21(27)19(12-17-7-5-16(4-2)6-8-17)13-20(18)26-25(31)24(30)23(29)22(15-28)33-26/h1,5-8,13-14,22-26,28-31H,4,9-12,15H2,2H3/t22-,23-,24+,25-,26+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321301
PNG
((2S,3R,4R,5S,6R)-2-(2-(2-(allyloxy)ethyl)-4-chloro...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOCC=C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H33ClO6/c1-3-10-32-11-9-18-14-21(27)19(12-17-7-5-16(4-2)6-8-17)13-20(18)26-25(31)24(30)23(29)22(15-28)33-26/h3,5-8,13-14,22-26,28-31H,1,4,9-12,15H2,2H3/t22-,23-,24+,25-,26+/m1/s1
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PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321297
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-3-15-4-6-16(7-5-15)8-17-9-19(18(10-20(17)26)13-32-12-14(2)28)25-24(31)23(30)22(29)21(11-27)33-25/h4-7,9-10,14,21-25,27-31H,3,8,11-13H2,1-2H3/t14?,21-,22-,23+,24-,25+/m1/s1
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PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321289
PNG
((2S,3R,4R,5S,6R)-2-(2-(allyloxymethyl)-4-chloro-5-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC=C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h3,5-8,11-12,21-25,27-30H,1,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321295
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H33ClO7/c1-2-15-4-6-16(7-5-15)10-17-11-19(18(12-20(17)26)14-32-9-3-8-27)25-24(31)23(30)22(29)21(13-28)33-25/h4-7,11-12,21-25,27-31H,2-3,8-10,13-14H2,1H3/t21-,22-,23+,24-,25+/m1/s1
PDB

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Article
PubMed
n/an/a 1.03E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321294
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H28ClF3O6/c1-2-13-3-5-14(6-4-13)7-15-8-17(16(9-18(15)25)11-33-12-24(26,27)28)23-22(32)21(31)20(30)19(10-29)34-23/h3-6,8-9,19-23,29-32H,2,7,10-12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
PDB

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antibodypedia
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CHEMBL
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Article
PubMed
n/an/a 1.34E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50321298
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-2-((2,2-difluoropropo...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClF2O6/c1-3-14-4-6-15(7-5-14)8-16-9-18(17(10-19(16)26)12-33-13-25(2,27)28)24-23(32)22(31)21(30)20(11-29)34-24/h4-7,9-10,20-24,29-32H,3,8,11-13H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair