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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50033664   
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))
BDBM50349240
PNG
(CHEMBL1807551)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)C2CC2)c1 |r|
Show InChI InChI=1S/C22H25ClO5/c23-17-8-7-15(22-21(27)20(26)19(25)18(11-24)28-22)10-16(17)9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,10,14,18-22,24-27H,5-6,9,11H2/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349242
PNG
(CHEMBL1807547)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(C=C)cc2)c1 |r|
Show InChI InChI=1S/C21H23ClO5/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/h2-8,10,17-21,23-26H,1,9,11H2/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50265176
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)ph...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O)cc2)c1 |r|
Show InChI InChI=1S/C19H21ClO6/c20-14-6-3-11(8-12(14)7-10-1-4-13(22)5-2-10)19-18(25)17(24)16(23)15(9-21)26-19/h1-6,8,15-19,21-25H,7,9H2/t15-,16-,17+,18-,19+/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349232
PNG
(CHEMBL1807549)
Show SMILES NC(=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H22ClNO6/c21-14-6-5-12(19-18(26)17(25)16(24)15(9-23)28-19)8-13(14)7-10-1-3-11(4-2-10)20(22)27/h1-6,8,15-19,23-26H,7,9H2,(H2,22,27)/t15-,16-,17+,18-,19+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349230
PNG
(CHEMBL1808392)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCO[C@@H]3CCOC3)cc2)c1 |r|
Show InChI InChI=1S/C25H31ClO8/c26-20-6-3-16(25-24(30)23(29)22(28)21(13-27)34-25)12-17(20)11-15-1-4-18(5-2-15)32-9-10-33-19-7-8-31-14-19/h1-6,12,19,21-25,27-30H,7-11,13-14H2/t19-,21-,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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349252
PNG
(CHEMBL1808387)
Show SMILES CC#CCOCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C25H29ClO7/c1-2-3-10-31-11-12-32-19-7-4-16(5-8-19)13-18-14-17(6-9-20(18)26)25-24(30)23(29)22(28)21(15-27)33-25/h4-9,14,21-25,27-30H,10-13,15H2,1H3/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349235
PNG
(CHEMBL1807543)
Show SMILES CC#CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H25ClO6/c1-2-3-10-29-17-7-4-14(5-8-17)11-16-12-15(6-9-18(16)24)23-22(28)21(27)20(26)19(13-25)30-23/h4-9,12,19-23,25-28H,10-11,13H2,1H3/t19-,20-,21+,22-,23+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349241
PNG
(CHEMBL1807548)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)C#C)c1 |r|
Show InChI InChI=1S/C21H21ClO5/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/h1,3-8,10,17-21,23-26H,9,11H2/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349239
PNG
(CHEMBL1807552)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)C2(O)CC2)c1 |r|
Show InChI InChI=1S/C22H25ClO6/c23-16-6-3-13(21-20(27)19(26)18(25)17(11-24)29-21)10-14(16)9-12-1-4-15(5-2-12)22(28)7-8-22/h1-6,10,17-21,24-28H,7-9,11H2/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
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 3.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349247
PNG
(CHEMBL1808386)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOCC=C)cc2)c1 |r|
Show InChI InChI=1S/C24H29ClO7/c1-2-9-30-10-11-31-18-6-3-15(4-7-18)12-17-13-16(5-8-19(17)25)24-23(29)22(28)21(27)20(14-26)32-24/h2-8,13,20-24,26-29H,1,9-12,14H2/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349249
PNG
(CHEMBL1808388)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1 |r|
Show InChI InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349244
PNG
(CHEMBL1807542)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOCC#C)cc2)c1 |r|
Show InChI InChI=1S/C24H27ClO7/c1-2-9-30-10-11-31-18-6-3-15(4-7-18)12-17-13-16(5-8-19(17)25)24-23(29)22(28)21(27)20(14-26)32-24/h1,3-8,13,20-24,26-29H,9-12,14H2/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349245
PNG
(CHEMBL1808390)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CCCC3)cc2)c1 |r|
Show InChI InChI=1S/C26H33ClO7/c27-21-10-7-17(26-25(31)24(30)23(29)22(15-28)34-26)14-18(21)13-16-5-8-20(9-6-16)33-12-11-32-19-3-1-2-4-19/h5-10,14,19,22-26,28-31H,1-4,11-13,15H2/t22-,23-,24+,25-,26+/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349243
PNG
(CHEMBL1807546)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC(O)=O)cc2)c1 |r|
Show InChI InChI=1S/C21H23ClO8/c22-15-6-3-12(21-20(28)19(27)18(26)16(9-23)30-21)8-13(15)7-11-1-4-14(5-2-11)29-10-17(24)25/h1-6,8,16,18-21,23,26-28H,7,9-10H2,(H,24,25)/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349229
PNG
(CHEMBL1808393)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(COC3CC3)cc2)c1 |r|
Show InChI InChI=1S/C23H27ClO6/c24-18-8-5-15(23-22(28)21(27)20(26)19(11-25)30-23)10-16(18)9-13-1-3-14(4-2-13)12-29-17-6-7-17/h1-5,8,10,17,19-23,25-28H,6-7,9,11-12H2/t19-,20-,21+,22-,23+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349248
PNG
(CHEMBL1807550)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1S/C20H20ClNO5/c21-15-6-5-13(20-19(26)18(25)17(24)16(10-23)27-20)8-14(15)7-11-1-3-12(9-22)4-2-11/h1-6,8,16-20,23-26H,7,10H2/t16-,17-,18+,19-,20+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349238
PNG
(CHEMBL1808394)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(CCOC3CC3)cc2)c1 |r|
Show InChI InChI=1S/C24H29ClO6/c25-19-8-5-16(24-23(29)22(28)21(27)20(13-26)31-24)12-17(19)11-15-3-1-14(2-4-15)9-10-30-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349233
PNG
(CHEMBL1807545)
Show SMILES CCOC(=O)COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H27ClO8/c1-2-30-19(26)12-31-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)24)23-22(29)21(28)20(27)18(11-25)32-23/h3-8,10,18,20-23,25,27-29H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349236
PNG
(CHEMBL1807541)
Show SMILES CC1(CC1)OCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C25H31ClO7/c1-25(8-9-25)32-11-10-31-18-5-2-15(3-6-18)12-17-13-16(4-7-19(17)26)24-23(30)22(29)21(28)20(14-27)33-24/h2-7,13,20-24,27-30H,8-12,14H2,1H3/t20-,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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349237
PNG
(CHEMBL1807540)
Show SMILES OCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO7/c22-16-6-3-13(21-20(27)19(26)18(25)17(11-24)29-21)10-14(16)9-12-1-4-15(5-2-12)28-8-7-23/h1-6,10,17-21,23-27H,7-9,11H2/t17-,18-,19+,20-,21+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349234
PNG
(CHEMBL1807544)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC#CC3CC3)cc2)c1 |r|
Show InChI InChI=1S/C25H27ClO6/c26-20-10-7-17(25-24(30)23(29)22(28)21(14-27)32-25)13-18(20)12-16-5-8-19(9-6-16)31-11-1-2-15-3-4-15/h5-10,13,15,21-25,27-30H,3-4,11-12,14H2/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349250
PNG
(CHEMBL1807726)
Show SMILES CC(=O)N(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1CC1 |r|
Show InChI InChI=1S/C25H30ClNO6/c1-14(29)27(19-7-8-19)12-16-4-2-15(3-5-16)10-18-11-17(6-9-20(18)26)25-24(32)23(31)22(30)21(13-28)33-25/h2-6,9,11,19,21-25,28,30-32H,7-8,10,12-13H2,1H3/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349251
PNG
(CHEMBL1807553)
Show SMILES COCC1(CC1)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H29ClO6/c1-30-13-24(8-9-24)17-5-2-14(3-6-17)10-16-11-15(4-7-18(16)25)23-22(29)21(28)20(27)19(12-26)31-23/h2-7,11,19-23,26-29H,8-10,12-13H2,1H3/t19-,20-,21+,22-,23+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349253
PNG
(CHEMBL1808391)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CCCCC3)cc2)c1 |r|
Show InChI InChI=1S/C27H35ClO7/c28-22-11-8-18(27-26(32)25(31)24(30)23(16-29)35-27)15-19(22)14-17-6-9-21(10-7-17)34-13-12-33-20-4-2-1-3-5-20/h6-11,15,20,23-27,29-32H,1-5,12-14,16H2/t23-,24-,25+,26-,27+/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 human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349246
PNG
(CHEMBL1808389)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CCC3)cc2)c1 |r|
Show InChI InChI=1S/C25H31ClO7/c26-20-9-6-16(25-24(30)23(29)22(28)21(14-27)33-25)13-17(20)12-15-4-7-19(8-5-15)32-11-10-31-18-2-1-3-18/h4-9,13,18,21-25,27-30H,1-3,10-12,14H2/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50349231
PNG
(CHEMBL1808385)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12 |r|
Show InChI InChI=1S/C24H25ClO6/c1-30-19-9-7-13(16-4-2-3-5-17(16)19)10-15-11-14(6-8-18(15)25)24-23(29)22(28)21(27)20(12-26)31-24/h2-9,11,20-24,26-29H,10,12H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintil...


Bioorg Med Chem Lett 21: 4465-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.032
BindingDB Entry DOI: 10.7270/Q29W0FVZ
More data for this
Ligand-Target Pair