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PubMed code 19896374

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303246
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES OC[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(OC(F)(F)F)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20ClF3O7/c22-15-7-12-9-30-20(19(29)18(28)17(27)16(8-26)32-20)14(12)6-11(15)5-10-1-3-13(4-2-10)31-21(23,24)25/h1-4,6-7,16-19,26-29H,5,8-9H2/t16-,17-,18+,19-,20+/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 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303254
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-fluoro-3-methyl...)
Show SMILES Cc1cccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c1F |r|
Show InChI InChI=1S/C21H22ClFO6/c1-10-3-2-4-11(17(10)23)5-12-6-14-13(7-15(12)22)9-28-21(14)20(27)19(26)18(25)16(8-24)29-21/h2-4,6-7,16,18-20,24-27H,5,8-9H2,1H3/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303239
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(1-(4-ethylphenyl)...)
Show SMILES CCc1ccc(cc1)C1(CC1)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C24H27ClO6/c1-2-13-3-5-14(6-4-13)23(9-10-23)19-15-12-30-24(16(15)7-8-17(19)25)22(29)21(28)20(27)18(11-26)31-24/h3-8,18,20-22,26-29H,2,9-12H2,1H3/t18-,20-,21+,22-,24+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303242
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-14-4-2-11(3-5-14)6-12-7-15-13(8-16(12)22)10-28-21(15)20(26)19(25)18(24)17(9-23)29-21/h2-5,7-8,17-20,23-26H,6,9-10H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303256
PNG
((1S,3'R,4'S,5'S,6'S)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CF)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClFO5/c1-2-12-3-5-13(6-4-12)9-14-15-11-28-22(16(15)7-8-17(14)23)21(27)20(26)19(25)18(10-24)29-22/h3-8,18-21,25-27H,2,9-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303257
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COC)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO6/c1-3-13-4-6-14(7-5-13)10-15-16-11-29-23(17(16)8-9-18(15)24)22(27)21(26)20(25)19(30-23)12-28-2/h4-9,19-22,25-27H,3,10-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
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 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/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 6.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
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 6.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303238
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-((4-ethylphenyl)di...)
Show SMILES CCc1ccc(cc1)C(F)(F)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C22H23ClF2O6/c1-2-11-3-5-12(6-4-11)21(24,25)17-13-10-30-22(14(13)7-8-15(17)23)20(29)19(28)18(27)16(9-26)31-22/h3-8,16,18-20,26-29H,2,9-10H2,1H3/t16-,18-,19+,20-,22+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303244
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES CC(C)c1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO6/c1-12(2)14-5-3-13(4-6-14)7-15-8-17-16(9-18(15)24)11-29-23(17)22(28)21(27)20(26)19(10-25)30-23/h3-6,8-9,12,19-22,25-28H,7,10-11H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303247
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethylbenzyl)-5-fluoro-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2F)cc1 |r|
Show InChI InChI=1S/C22H25FO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/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 8.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303235
PNG
((1S,3'R,4'S,5'S,6'R)-6'-(azidomethyl)-5-chloro-4-(...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O5/c1-2-12-3-5-13(6-4-12)9-14-15-11-30-22(16(15)7-8-17(14)23)21(29)20(28)19(27)18(31-22)10-25-26-24/h3-8,18-21,27-29H,2,9-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303255
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1c(C)cccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C22H25ClO7/c1-11-4-3-5-12(20(11)28-2)6-13-7-15-14(8-16(13)23)10-29-22(15)21(27)19(26)18(25)17(9-24)30-22/h3-5,7-8,17-19,21,24-27H,6,9-10H2,1-2H3/t17-,18-,19+,21-,22+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303245
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-tert-butylbenzyl)-5-chlo...)
Show SMILES CC(C)(C)c1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H29ClO6/c1-23(2,3)16-6-4-13(5-7-16)8-14-9-17-15(10-18(14)25)12-30-24(17)22(29)21(28)20(27)19(11-26)31-24/h4-7,9-10,19-22,26-29H,8,11-12H2,1-3H3/t19-,20-,21+,22-,24+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303237
PNG
(((1S,3'R,4'S,5'S,6'R)-5-chloro-3',4',5'-trihydroxy...)
Show SMILES CCc1ccc(cc1)C(=O)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C22H23ClO7/c1-2-11-3-5-12(6-4-11)18(25)17-13-10-29-22(14(13)7-8-15(17)23)21(28)20(27)19(26)16(9-24)30-22/h3-8,16,19-21,24,26-28H,2,9-10H2,1H3/t16-,19-,20+,21-,22+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303259
PNG
(((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-3...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H27ClO7/c1-3-14-4-6-15(7-5-14)10-16-17-11-31-24(18(17)8-9-19(16)25)23(29)22(28)21(27)20(32-24)12-30-13(2)26/h4-9,20-23,27-29H,3,10-12H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303248
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(3-chloro-4-ethoxy...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1Cl |r|
Show InChI InChI=1S/C22H24Cl2O7/c1-2-29-17-4-3-11(6-16(17)24)5-12-7-14-13(8-15(12)23)10-30-22(14)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303258
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COCC(F)(F)F)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H26ClF3O6/c1-2-13-3-5-14(6-4-13)9-15-16-10-33-24(17(16)7-8-18(15)25)22(31)21(30)20(29)19(34-24)11-32-12-23(26,27)28/h3-8,19-22,29-31H,2,9-12H2,1H3/t19-,20-,21+,22-,24+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303241
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethoxybenzyl)-6'-(hydrox...)
Show SMILES CCOc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-2-27-16-7-4-13(5-8-16)9-14-3-6-15-12-28-22(17(15)10-14)21(26)20(25)19(24)18(11-23)29-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303252
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-fluoro-2-methyl...)
Show SMILES Cc1cc(F)ccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C21H22ClFO6/c1-10-4-14(23)3-2-11(10)5-12-6-15-13(7-16(12)22)9-28-21(15)20(27)19(26)18(25)17(8-24)29-21/h2-4,6-7,17-20,24-27H,5,8-9H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303236
PNG
((1S,3'R,4'S,5'S,6'R)-6'-(aminomethyl)-5-chloro-4-(...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClNO5/c1-2-12-3-5-13(6-4-12)9-14-15-11-28-22(16(15)7-8-17(14)23)21(27)20(26)19(25)18(10-24)29-22/h3-8,18-21,25-27H,2,9-11,24H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303242
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-14-4-2-11(3-5-14)6-12-7-15-13(8-16(12)22)10-28-21(15)20(26)19(25)18(24)17(9-23)29-21/h2-5,7-8,17-20,23-26H,6,9-10H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/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 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303256
PNG
((1S,3'R,4'S,5'S,6'S)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CF)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClFO5/c1-2-12-3-5-13(6-4-12)9-14-15-11-28-22(16(15)7-8-17(14)23)21(27)20(26)19(25)18(10-24)29-22/h3-8,18-21,25-27H,2,9-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303250
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethoxy-2-methyl...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H27ClO7/c1-3-29-16-5-4-13(12(2)6-16)7-14-8-17-15(9-18(14)24)11-30-23(17)22(28)21(27)20(26)19(10-25)31-23/h4-6,8-9,19-22,25-28H,3,7,10-11H2,1-2H3/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303251
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-11-5-15(28-2)4-3-12(11)6-13-7-16-14(8-17(13)23)10-29-22(16)21(27)20(26)19(25)18(9-24)30-22/h3-5,7-8,18-21,24-27H,6,9-10H2,1-2H3/t18-,19-,20+,21-,22+/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 SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303252
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-fluoro-2-methyl...)
Show SMILES Cc1cc(F)ccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C21H22ClFO6/c1-10-4-14(23)3-2-11(10)5-12-6-15-13(7-16(12)22)9-28-21(15)20(27)19(26)18(25)17(8-24)29-21/h2-4,6-7,17-20,24-27H,5,8-9H2,1H3/t17-,18-,19+,20-,21+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303260
PNG
((1S,3'R,4'S,5'S,6'R)-4-(4-ethylbenzyl)-6'-(hydroxy...)
Show SMILES CCc1ccc(Cc2cccc3c2CO[C@]32O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-2-13-6-8-14(9-7-13)10-15-4-3-5-17-16(15)12-27-22(17)21(26)20(25)19(24)18(11-23)28-22/h3-9,18-21,23-26H,2,10-12H2,1H3/t18-,19-,20+,21-,22+/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 SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303255
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1c(C)cccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C22H25ClO7/c1-11-4-3-5-12(20(11)28-2)6-13-7-15-14(8-16(13)23)10-29-22(15)21(27)19(26)18(25)17(9-24)30-22/h3-5,7-8,17-19,21,24-27H,6,9-10H2,1-2H3/t17-,18-,19+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303235
PNG
((1S,3'R,4'S,5'S,6'R)-6'-(azidomethyl)-5-chloro-4-(...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O5/c1-2-12-3-5-13(6-4-12)9-14-15-11-30-22(16(15)7-8-17(14)23)21(29)20(28)19(27)18(31-22)10-25-26-24/h3-8,18-21,27-29H,2,9-11H2,1H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303253
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-ethoxy-4-fluoro...)
Show SMILES CCOc1cc(F)ccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-8-14(24)4-3-11(17)5-12-6-15-13(7-16(12)23)10-30-22(15)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/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 SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303250
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethoxy-2-methyl...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H27ClO7/c1-3-29-16-5-4-13(12(2)6-16)7-14-8-17-15(9-18(14)24)11-30-23(17)22(28)21(27)20(26)19(10-25)31-23/h4-6,8-9,19-22,25-28H,3,7,10-11H2,1-2H3/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 SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50303249
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-chloro-4-ethoxy...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2O7/c1-2-29-14-4-3-11(17(24)8-14)5-12-6-15-13(7-16(12)23)10-30-22(15)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/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 SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303254
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-fluoro-3-methyl...)
Show SMILES Cc1cccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c1F |r|
Show InChI InChI=1S/C21H22ClFO6/c1-10-3-2-4-11(17(10)23)5-12-6-14-13(7-15(12)22)9-28-21(14)20(27)19(26)18(25)16(8-24)29-21/h2-4,6-7,16,18-20,24-27H,5,8-9H2,1H3/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303238
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-((4-ethylphenyl)di...)
Show SMILES CCc1ccc(cc1)C(F)(F)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C22H23ClF2O6/c1-2-11-3-5-12(6-4-11)21(24,25)17-13-10-30-22(14(13)7-8-15(17)23)20(29)19(28)18(27)16(9-26)31-22/h3-8,16,18-20,26-29H,2,9-10H2,1H3/t16-,18-,19+,20-,22+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303244
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES CC(C)c1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO6/c1-12(2)14-5-3-13(4-6-14)7-15-8-17-16(9-18(15)24)11-29-23(17)22(28)21(27)20(26)19(10-25)30-23/h3-6,8-9,12,19-22,25-28H,7,10-11H2,1-2H3/t19-,20-,21+,22-,23+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303257
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COC)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO6/c1-3-13-4-6-14(7-5-13)10-15-16-11-29-23(17(16)8-9-18(15)24)22(27)21(26)20(25)19(30-23)12-28-2/h4-9,19-22,25-27H,3,10-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303246
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES OC[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(OC(F)(F)F)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20ClF3O7/c22-15-7-12-9-30-20(19(29)18(28)17(27)16(8-26)32-20)14(12)6-11(15)5-10-1-3-13(4-2-10)31-21(23,24)25/h1-4,6-7,16-19,26-29H,5,8-9H2/t16-,17-,18+,19-,20+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303259
PNG
(((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-3...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H27ClO7/c1-3-14-4-6-15(7-5-14)10-16-17-11-31-24(18(17)8-9-19(16)25)23(29)22(28)21(27)20(32-24)12-30-13(2)26/h4-9,20-23,27-29H,3,10-12H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303247
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethylbenzyl)-5-fluoro-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2F)cc1 |r|
Show InChI InChI=1S/C22H25FO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/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 5.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303239
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(1-(4-ethylphenyl)...)
Show SMILES CCc1ccc(cc1)C1(CC1)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C24H27ClO6/c1-2-13-3-5-14(6-4-13)23(9-10-23)19-15-12-30-24(16(15)7-8-17(19)25)22(29)21(28)20(27)18(11-26)31-24/h3-8,18,20-22,26-29H,2,9-12H2,1H3/t18-,20-,21+,22-,24+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303245
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-tert-butylbenzyl)-5-chlo...)
Show SMILES CC(C)(C)c1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H29ClO6/c1-23(2,3)16-6-4-13(5-7-16)8-14-9-17-15(10-18(14)25)12-30-24(17)22(29)21(28)20(27)19(11-26)31-24/h4-7,9-10,19-22,26-29H,8,11-12H2,1-3H3/t19-,20-,21+,22-,24+/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303249
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-chloro-4-ethoxy...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2O7/c1-2-29-14-4-3-11(17(24)8-14)5-12-6-15-13(7-16(12)23)10-30-22(15)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303241
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethoxybenzyl)-6'-(hydrox...)
Show SMILES CCOc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-2-27-16-7-4-13(5-8-16)9-14-3-6-15-12-28-22(17(15)10-14)21(26)20(25)19(24)18(11-23)29-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303253
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(2-ethoxy-4-fluoro...)
Show SMILES CCOc1cc(F)ccc1Cc1cc2c(CO[C@]22O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cl |r|
Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-8-14(24)4-3-11(17)5-12-6-15-13(7-16(12)23)10-30-22(15)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303251
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6'-(hydroxymethyl)-6...)
Show SMILES COc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-11-5-15(28-2)4-3-12(11)6-13-7-16-14(8-17(13)23)10-29-22(16)21(27)20(26)19(25)18(9-24)30-22/h3-5,7-8,18-21,24-27H,6,9-10H2,1-2H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303248
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(3-chloro-4-ethoxy...)
Show SMILES CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1Cl |r|
Show InChI InChI=1S/C22H24Cl2O7/c1-2-29-17-4-3-11(6-16(17)24)5-12-7-14-13(8-15(12)23)10-30-22(14)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303258
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](COCC(F)(F)F)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H26ClF3O6/c1-2-13-3-5-14(6-4-13)9-15-16-10-33-24(17(16)7-8-18(15)25)22(31)21(30)20(29)19(34-24)11-32-12-23(26,27)28/h3-8,19-22,29-31H,2,9-12H2,1H3/t19-,20-,21+,22-,24+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303237
PNG
(((1S,3'R,4'S,5'S,6'R)-5-chloro-3',4',5'-trihydroxy...)
Show SMILES CCc1ccc(cc1)C(=O)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl |r|
Show InChI InChI=1S/C22H23ClO7/c1-2-11-3-5-12(6-4-11)18(25)17-13-10-29-22(14(13)7-8-15(17)23)21(28)20(27)19(26)16(9-24)30-22/h3-8,16,19-21,24,26-28H,2,9-10H2,1H3/t16-,19-,20+,21-,22+/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50303236
PNG
((1S,3'R,4'S,5'S,6'R)-6'-(aminomethyl)-5-chloro-4-(...)
Show SMILES CCc1ccc(Cc2c3CO[C@]4(O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClNO5/c1-2-12-3-5-13(6-4-12)9-14-15-11-28-22(16(15)7-8-17(14)23)21(27)20(26)19(25)18(10-24)29-22/h3-8,18-21,25-27H,2,9-11,24H2,1H3/t18-,19-,20+,21-,22+/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 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%