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8 similar compounds to monomer 50342888

Compile data set for download or QSAR
Wt: 492.9
BDBM109274
Wt: 374.4
BDBM50302622
Wt: 388.4
BDBM50302623
Wt: 436.8
BDBM50342884
Wt: 436.8
BDBM50342885
Purchase
Wt: 422.8
BDBM50342886
Wt: 422.8
BDBM50342887
Wt: 402.4
BDBM50342889

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 109274,50302622,50302623,50342884,50342885,50342886,50342887,50342889   
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-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109274
PNG
(US8609622, 1)
Show SMILES OC[C@]12CO[C@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1
Show InChI InChI=1S/C25H29ClO8/c26-20-8-3-17(25-23(30)21(28)22(29)24(13-27,34-25)14-33-25)12-16(20)11-15-1-4-18(5-2-15)31-9-10-32-19-6-7-19/h1-5,8,12,19,21-23,27-30H,6-7,9-11,13-14H2/t21-,22-,23+,24+,25+/m0/s1
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US Patent
n/an/a 9.53n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 392n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method


J Med Chem 60: 4173-4184 (2017)

More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 546n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 506n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 89.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 0.877n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 43.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 0.882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Rattus norvegicus)
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT2


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302622
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)phenyl)-6-metho...)
Show SMILES CCOc1ccc(Cc2cccc(c2)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H26O6/c1-3-26-16-9-7-13(8-10-16)11-14-5-4-6-15(12-14)20-18(23)17(22)19(24)21(25-2)27-20/h4-10,12,17-24H,3,11H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302623
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)-4-methylphenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H28O6/c1-4-27-17-9-6-14(7-10-17)11-16-12-15(8-5-13(16)2)21-19(24)18(23)20(25)22(26-3)28-21/h5-10,12,18-25H,4,11H2,1-3H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302622
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)phenyl)-6-metho...)
Show SMILES CCOc1ccc(Cc2cccc(c2)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H26O6/c1-3-26-16-9-7-13(8-10-16)11-14-5-4-6-15(12-14)20-18(23)17(22)19(24)21(25-2)27-20/h4-10,12,17-24H,3,11H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302623
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)-4-methylphenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H28O6/c1-4-27-17-9-6-14(7-10-17)11-16-12-15(8-5-13(16)2)21-19(24)18(23)20(25)22(26-3)28-21/h5-10,12,18-25H,4,11H2,1-3H3/t18-,19-,20+,21+,22?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



Haisco Pharmaceuticals Group Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method


J Med Chem 60: 4173-4184 (2017)

More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 1 (SGLT1)


(Mus musculus (Mouse))
BDBM109274
PNG
(US8609622, 1)
Show SMILES OC[C@]12CO[C@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1
Show InChI InChI=1S/C25H29ClO8/c26-20-8-3-17(25-23(30)21(28)22(29)24(13-27,34-25)14-33-25)12-16(20)11-15-1-4-18(5-2-15)31-9-10-32-19-6-7-19/h1-5,8,12,19,21-23,27-30H,6-7,9-11,13-14H2/t21-,22-,23+,24+,25+/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair