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PubMed code 21090651

Compile data set for download or QSAR
Found 21 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))
BDBM50346263
PNG
(2-(3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzo...)
Show SMILES OCCn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H16ClN3O/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19(9-10-21)16(20)18/h1-8,18,21H,9-11H2
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n/an/an/an/a 3.11E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346272
PNG
(1-(2-imino-3-(2-(piperidin-1-yl)ethyl)-2,3-dihydro...)
Show SMILES CC(C)(C)C(O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N
Show InChI InChI=1/C20H32N4O/c1-20(2,3)18(25)15-24-17-10-6-5-9-16(17)23(19(24)21)14-13-22-11-7-4-8-12-22/h5-6,9-10,18,21,25H,4,7-8,11-15H2,1-3H3
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346266
PNG
((2R,3R,4S,5S,6R)-2-(4-chloro-3-(4-cyclopropylbenzy...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
Show InChI InChI=1/C24H26ClNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/s2
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n/an/an/an/a 2.30n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346267
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4,6-di...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cc(F)cc12
Show InChI InChI=1/C24H25F2NO5/c25-16-8-17(26)20-15(7-12-1-3-13(4-2-12)14-5-6-14)10-27(18(20)9-16)24-23(31)22(30)21(29)19(11-28)32-24/h1-4,8-10,14,19,21-24,28-31H,5-7,11H2/t19-,21-,22+,23-,24-/s2
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n/an/an/an/a 2.80n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346271
PNG
(1-(3-allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol...)
Show SMILES CC(C)(C)C(O)Cn1c2ccccc2n(CC=C)c1=N
Show InChI InChI=1/C16H23N3O/c1-5-10-18-12-8-6-7-9-13(12)19(15(18)17)11-14(20)16(2,3)4/h5-9,14,17,20H,1,10-11H2,2-4H3
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n/an/an/an/a 4.04E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346269
PNG
(2-methyl-7-((6-methylpyridin-2-ylamino)(3,4,5-trim...)
Show SMILES COc1cc(cc(OC)c1OC)C(Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1O
Show InChI InChI=1/C26H27N3O4/c1-15-7-6-8-22(27-15)29-23(18-13-20(31-3)26(33-5)21(14-18)32-4)19-12-11-17-10-9-16(2)28-24(17)25(19)30/h6-14,23,30H,1-5H3,(H,27,29)
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n/an/an/an/a 5.92E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346260
PNG
(2-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazo...)
Show SMILES OC(Cn1c2ccccc2n(Cc2ccccc2)c1=N)c1cccs1
Show InChI InChI=1/C20H19N3OS/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19/h1-12,18,21,24H,13-14H2
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n/an/an/an/a 1.91E+4n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50174677
PNG
((2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5OCCc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C24H27NO7/c26-12-19-21(27)22(28)23(29)24(32-19)31-18-3-1-2-16-20(18)15(11-25-16)6-4-13-5-7-17-14(10-13)8-9-30-17/h1-3,5,7,10-11,19,21-29H,4,6,8-9,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM33493
PNG
(2-(3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES OCCn1c2ccccc2n(Cc2ccccc2)c1=N
Show InChI InChI=1S/C16H17N3O/c17-16-18(10-11-20)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9,17,20H,10-12H2
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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM42468
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES OC(Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N)c1ccco1
Show InChI InChI=1S/C20H18ClN3O2/c21-15-9-7-14(8-10-15)12-23-16-4-1-2-5-17(16)24(20(23)22)13-18(25)19-6-3-11-26-19/h1-11,18,22,25H,12-13H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/s2
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n/an/an/an/a 8n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346262
PNG
(2-(3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzo...)
Show SMILES OC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O2/c17-12-7-5-11(6-8-12)9-19-13-3-1-2-4-14(13)20(16(19)18)10-15(21)22/h1-8,18H,9-10H2,(H,21,22)
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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346265
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4-fluo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cccc12
Show InChI InChI=1/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/s2
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n/an/an/an/a 1.90n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM30717
PNG
(1-(3-benzyl-2-imino-benzimidazol-1-yl)-3-phenoxy-p...)
Show SMILES OC(COc1ccccc1)Cn1c2ccccc2n(Cc2ccccc2)c1=N
Show InChI InChI=1S/C23H23N3O2/c24-23-25(15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)26(23)16-19(27)17-28-20-11-5-2-6-12-20/h1-14,19,24,27H,15-17H2
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n/an/an/an/a 4.60E+3n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM79640
PNG
(1-(2-furanyl)-2-[2-imino-3-(phenylmethyl)-1-benzim...)
Show SMILES OC(Cn1c2ccccc2n(Cc2ccccc2)c1=N)c1ccco1
Show InChI InChI=1S/C20H19N3O2/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19/h1-12,18,21,24H,13-14H2
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n/an/an/an/a 3.47E+4n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346258
PNG
(2-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazo...)
Show SMILES COc1ccc(cc1)C(O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
Show InChI InChI=1/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3
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n/an/an/an/a 1.62E+4n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346264
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C22H28O6/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/s2
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n/an/an/an/a 1.10n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346268
PNG
(1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazo...)
Show SMILES CC(C)(C)C(O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
Show InChI InChI=1/C20H25N3O/c1-20(2,3)18(24)14-23-17-12-8-7-11-16(17)22(19(23)21)13-15-9-5-4-6-10-15/h4-12,18,21,24H,13-14H2,1-3H3
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n/an/an/an/a 3.85E+3n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313364
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/s2
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n/an/an/an/a 12n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50346270
PNG
(2-(2-amino-5-phenylthiophene-3-carbonyl)-N-(4-meth...)
Show SMILES COc1ccc(NC(=S)NNC(=O)c2cc(sc2N)-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O2S2/c1-25-14-9-7-13(8-10-14)21-19(26)23-22-18(24)15-11-16(27-17(15)20)12-5-3-2-4-6-12/h2-11H,20H2,1H3,(H,22,24)(H2,21,23,26)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.98E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50174679
PNG
((2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-...)
Show SMILES Cn1cc(CCc2ccc3OCCc3c2)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12
Show InChI InChI=1S/C25H29NO7/c1-26-12-16(7-5-14-6-8-18-15(11-14)9-10-31-18)21-17(26)3-2-4-19(21)32-25-24(30)23(29)22(28)20(13-27)33-25/h2-4,6,8,11-12,20,22-25,27-30H,5,7,9-10,13H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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Article
PubMed
n/an/an/an/a 67n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%