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PubMed code 20690635

Compile data set for download or QSAR
Found 12 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 (SGLT2)


(Homo sapiens (Human))
BDBM50326284
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1/C24H25FO6S/c1-13-3-2-4-18(30-24-23(29)22(28)21(27)19(12-26)31-24)17(13)11-16-9-10-20(32-16)14-5-7-15(25)8-6-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326280
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(5-chloro-2-t...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2ccc(Cl)s2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C17H18Cl2O6S/c18-10-2-1-3-11(9(10)6-8-4-5-13(19)26-8)24-17-16(23)15(22)14(21)12(7-20)25-17/h1-5,12,14-17,20-23H,6-7H2/t12-,14-,15+,16-,17-/s2
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n/an/a 2.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326283
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1/C23H24FNO6S/c1-12-3-2-4-16(30-23-22(29)21(28)20(27)17(11-26)31-23)15(12)9-19-25-10-18(32-19)13-5-7-14(24)8-6-13/h2-8,10,17,20-23,26-29H,9,11H2,1H3/t17-,20-,21+,22-,23-/s2
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n/an/a 8.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326279
PNG
(1-(beta-D-Glucopyranosyl)-3-(5-ethyl-2-thienylmeth...)
Show SMILES CCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1/C19H24O6S/c1-2-12-7-8-13(26-12)9-11-5-3-4-6-14(11)24-19-18(23)17(22)16(21)15(10-20)25-19/h3-8,15-23H,2,9-10H2,1H3/t15-,16-,17+,18-,19-/s2
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n/an/a 17n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326282
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(2-ethyl-5-py...)
Show SMILES CCc1ccc(Cc2c(Cl)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1
Show InChI InChI=1/C20H24ClNO6/c1-2-12-7-6-11(9-22-12)8-13-14(21)4-3-5-15(13)27-20-19(26)18(25)17(24)16(10-23)28-20/h3-7,9,16-20,23-26H,2,8,10H2,1H3/t16-,17-,18+,19-,20-/s2
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n/an/a 28n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326281
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(1-phenyl-1H-...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2cnn(c2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C22H23ClN2O6/c23-16-7-4-8-17(30-22-21(29)20(28)19(27)18(12-26)31-22)15(16)9-13-10-24-25(11-13)14-5-2-1-3-6-14/h1-8,10-11,18-22,26-29H,9,12H2/t18-,19-,20+,21-,22-/s2
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n/an/a 32n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50326284
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1/C24H25FO6S/c1-13-3-2-4-18(30-24-23(29)22(28)21(27)19(12-26)31-24)17(13)11-16-9-10-20(32-16)14-5-7-15(25)8-6-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/s2
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n/an/a 910n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50326278
PNG
(1-(beta-D-Glucopyranosyl)-3-(5-ethyl-2-furylmethyl...)
Show SMILES CCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1
Show InChI InChI=1/C19H24O7/c1-2-12-7-8-13(24-12)9-11-5-3-4-6-14(11)25-19-18(23)17(22)16(21)15(10-20)26-19/h3-8,15-23H,2,9-10H2,1H3/t15-,16-,17+,18-,19-/s2
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n/an/a 920n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Rattus norvegicus)
BDBM50326284
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1/C24H25FO6S/c1-13-3-2-4-18(30-24-23(29)22(28)21(27)19(12-26)31-24)17(13)11-16-9-10-20(32-16)14-5-7-15(25)8-6-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/s2
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of GLUT1-mediated [3H]2-deoxy-glucose uptake in rat L6 cells after 15 mins by liquid scintillation counting


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Rattus norvegicus)
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of GLUT1-mediated [3H]2-deoxy-glucose uptake in rat L6 cells after 15 mins by liquid scintillation counting


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%