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Compile Data Set for Download or QSAR

Found 13 hits from Astellas Pharmaceutical Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50436116
PNG
(CHEMBL2397452)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2cc3cccccc3c2)c1
Show InChI InChI=1S/C23H23ClO5/c24-18-7-6-16(23-22(28)21(27)20(26)19(12-25)29-23)11-17(18)10-13-8-14-4-2-1-3-5-15(14)9-13/h1-9,11,19-23,25-28H,10,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436115
PNG
(CHEMBL2397450)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2cc3cccccc3c2)ccc1O
Show InChI InChI=1S/C23H24O6/c24-12-19-20(26)21(27)22(28)23(29-19)17-11-13(6-7-18(17)25)8-14-9-15-4-2-1-3-5-16(15)10-14/h1-7,9-11,19-28H,8,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436114
PNG
(CHEMBL2397451)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3cccccc3c2)c1
Show InChI InChI=1S/C23H23FO5/c24-18-7-6-16(23-22(28)21(27)20(26)19(12-25)29-23)11-17(18)10-13-8-14-4-2-1-3-5-15(14)9-13/h1-9,11,19-23,25-28H,10,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436113
PNG
(CHEMBL2397449)
Show SMILES COc1ccc(Cc2cc3cccccc3c2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C24H26O6/c1-29-19-8-7-14(9-15-10-16-5-3-2-4-6-17(16)11-15)12-18(19)24-23(28)22(27)21(26)20(13-25)30-24/h2-8,10-12,20-28H,9,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436112
PNG
(CHEMBL2397453)
Show SMILES COc1ccc(cc1Cc1cc2cccccc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C24H26O6/c1-29-19-8-7-17(24-23(28)22(27)21(26)20(13-25)30-24)12-18(19)11-14-9-15-5-3-2-4-6-16(15)10-14/h2-10,12,20-28H,11,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436111
PNG
(CHEMBL2397442)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cc3cccccc3c2)c1
Show InChI InChI=1S/C23H24O5/c24-13-19-20(25)21(26)22(27)23(28-19)18-8-4-5-14(10-18)9-15-11-16-6-2-1-3-7-17(16)12-15/h1-8,10-12,19-27H,9,13H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436110
PNG
(CHEMBL2397447)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2cc3cccccc3c2)ccc1F
Show InChI InChI=1S/C23H23FO5/c24-18-7-6-13(8-14-9-15-4-2-1-3-5-16(15)10-14)11-17(18)23-22(28)21(27)20(26)19(12-25)29-23/h1-7,9-11,19-23,25-28H,8,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436109
PNG
(CHEMBL2397448)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2cc3cccccc3c2)ccc1Cl
Show InChI InChI=1S/C23H23ClO5/c24-18-7-6-13(8-14-9-15-4-2-1-3-5-16(15)10-14)11-17(18)23-22(28)21(27)20(26)19(12-25)29-23/h1-7,9-11,19-23,25-28H,8,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436108
PNG
(CHEMBL2397441)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc3cccc3cc2)c1
Show InChI InChI=1S/C23H24O5/c24-13-19-20(25)21(26)22(27)23(28-19)18-6-1-3-15(12-18)11-14-7-9-16-4-2-5-17(16)10-8-14/h1-10,12,19-27H,11,13H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436120
PNG
(CHEMBL2397445)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cc3cccccc3c2Cc2ccccc2)c1
Show InChI InChI=1S/C30H30O5/c31-18-26-27(32)28(33)29(34)30(35-26)22-12-7-10-20(14-22)15-23-17-21-11-5-2-6-13-24(21)25(23)16-19-8-3-1-4-9-19/h1-14,17,26-34H,15-16,18H2/t26-,27-,28+,29-,30+/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436119
PNG
(CHEMBL2397444)
Show SMILES CCc1c(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cccccc12
Show InChI InChI=1S/C25H28O5/c1-2-19-18(13-16-8-4-3-5-10-20(16)19)12-15-7-6-9-17(11-15)25-24(29)23(28)22(27)21(14-26)30-25/h3-11,13,21-29H,2,12,14H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436118
PNG
(CHEMBL2397446)
Show SMILES CC(=O)c1c(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cccccc12
Show InChI InChI=1S/C25H26O6/c1-14(27)21-18(12-16-7-3-2-4-9-19(16)21)11-15-6-5-8-17(10-15)25-24(30)23(29)22(28)20(13-26)31-25/h2-10,12,20,22-26,28-30H,11,13H2,1H3/t20-,22-,23+,24-,25+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436117
PNG
(CHEMBL2397443)
Show SMILES Cc1cc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccccc12
Show InChI InChI=1S/C24H26O5/c1-14-10-17(19-9-4-2-3-8-18(14)19)12-15-6-5-7-16(11-15)24-23(28)22(27)21(26)20(13-25)29-24/h2-11,20-28H,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair