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Compile Data Set for Download or QSAR

Found 840 hits with Last Name = 'song' and Initial = 'ks'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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86n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50135168
PNG
(3,4,5-Trihydroxy-benzoic acid (2R,3S)-5,7-dihydrox...)
Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
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170n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of human Beta-secretase 1


Bioorg Med Chem Lett 13: 3905-8 (2003)


BindingDB Entry DOI: 10.7270/Q28K78HN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50135163
PNG
(3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydrox...)
Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1
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210n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of human Beta-secretase 1


Bioorg Med Chem Lett 13: 3905-8 (2003)


BindingDB Entry DOI: 10.7270/Q28K78HN
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
BDBM50269564
PNG
(5,6,5',6'-tetrahydroxy[3,3']bibenzofuranyl-2,2'-di...)
Show SMILES COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(oc2cc(O)c(O)cc12)C(=O)OC |(-3.37,-.48,;-1.83,-.48,;-1.06,.86,;-1.83,2.19,;.49,.86,;1.39,2.1,;2.85,1.63,;4.17,2.4,;5.5,1.64,;6.83,2.42,;5.51,.1,;6.85,-.67,;4.18,-.67,;2.85,.09,;1.39,-.39,;.64,-1.73,;1.55,-2.99,;.64,-4.24,;-.84,-3.76,;-2.17,-4.53,;-3.51,-3.76,;-4.84,-4.53,;-3.5,-2.22,;-4.84,-1.45,;-2.17,-1.45,;-.84,-2.21,;3.09,-2.99,;3.86,-1.65,;3.86,-4.32,;3.09,-5.65,)|
Show InChI InChI=1S/C20H14O10/c1-27-19(25)17-15(7-3-9(21)11(23)5-13(7)29-17)16-8-4-10(22)12(24)6-14(8)30-18(16)20(26)28-2/h3-6,21-24H,1-2H3
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290n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50018962
PNG
(CHEMBL3287409)
Show SMILES COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C
Show InChI InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3
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4.28E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50018959
PNG
(BOERAVINONE D | Boeravinone D)
Show SMILES COC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O
Show InChI InChI=1S/C18H14O7/c1-7-10(20)6-12-14(15(7)21)16(22)13-9-4-3-8(19)5-11(9)25-18(23-2)17(13)24-12/h3-6,18-21H,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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5.13E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50135164
PNG
(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against recombinant human Beta-secretase 1


Bioorg Med Chem Lett 13: 3905-8 (2003)


BindingDB Entry DOI: 10.7270/Q28K78HN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50250989
PNG
(CHEMBL450745 | eugeniin)
Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
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6.84E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159472
PNG
(US9034921, E114)
Show SMILES CCOc1ccc(Cc2cc(cc(OC)c2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1/C22H27ClO6S/c1-4-28-15-7-5-12(6-8-15)9-13-10-14(11-16(27-2)17(13)23)21-19(25)18(24)20(26)22(29-21)30-3/h5-8,10-11,18-22,24-26H,4,9H2,1-3H3/t18-,19-,20+,21+,22-/s2
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n/an/a 0.308n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159528
PNG
(US9034921, E171 | US9340521, E028)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2OCCc12 |r|
Show InChI InChI=1/C23H25ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h2-6,10,17,19-21,23,25-28H,1,7-9,11H2/t17-,19-,20+,21-,23+/s2
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n/an/a 0.366n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159516
PNG
(US9034921, E158 | US9340521, E024)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCOc12 |r|
Show InChI InChI=1/C23H25ClO7/c24-17-14(7-11-1-3-12(4-2-11)13-5-6-13)8-15(22-23(17)30-10-29-22)21-20(28)19(27)18(26)16(9-25)31-21/h1-4,8,13,16,18-21,25-28H,5-7,9-10H2/t16-,18-,19+,20-,21+/s2
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n/an/a 0.366n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159520
PNG
(US9034921, E162 | US9340521, E026)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C22H25ClO7/c1-2-11-3-5-12(6-4-11)7-13-8-14(21-22(16(13)23)29-10-28-21)20-19(27)18(26)17(25)15(9-24)30-20/h3-6,8,15,17-20,24-27H,2,7,9-10H2,1H3/t15-,17-,18+,19-,20+/s2
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n/an/a 0.404n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159458
PNG
(US9034921, E098)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc3OCCOc3c2)c(Cl)cc1O |r|
Show InChI InChI=1/C21H23ClO7S/c1-30-21-19(26)17(24)18(25)20(29-21)12-8-11(13(22)9-14(12)23)6-10-2-3-15-16(7-10)28-5-4-27-15/h2-3,7-9,17-21,23-26H,4-6H2,1H3/t17-,18-,19+,20+,21-/s2
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n/an/a 0.454n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159529
PNG
(US9034921, E172)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCCc12 |r|
Show InChI InChI=1/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/s2
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n/an/a 0.463n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159474
PNG
(US9034921, E116)
Show SMILES CN(C)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H30ClNO5/c1-26(2)15-8-6-13(7-9-15)10-14-11-18(16-4-3-5-17(16)20(14)25)24-23(30)22(29)21(28)19(12-27)31-24/h6-9,11,19,21-24,27-30H,3-5,10,12H2,1-2H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.475n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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 0.490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 182-187 (2011)


Article DOI: 10.1021/ml100256c
BindingDB Entry DOI: 10.7270/Q2959HVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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 0.490n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2


Bioorg Med Chem 18: 6069-79 (2010)


Article DOI: 10.1016/j.bmc.2010.06.076
BindingDB Entry DOI: 10.7270/Q2R78FDN
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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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Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 5813-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.014
BindingDB Entry DOI: 10.7270/Q2FB53BQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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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Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 3420-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.006
BindingDB Entry DOI: 10.7270/Q24J0F8B
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159468
PNG
(US9034921, E110)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c(OCC=C)cc2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO6S/c1-4-9-29-18-12-17(24)14(10-13-5-7-15(28-2)8-6-13)11-16(18)22-20(26)19(25)21(27)23(30-22)31-3/h4-8,11-12,19-23,25-27H,1,9-10H2,2-3H3/t19-,20-,21+,22+,23-/s2
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n/an/a 0.504n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159394
PNG
(US9034921, E008 | US9340521, E006)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H29ClO6/c1-2-30-15-8-6-13(7-9-15)10-14-11-18(16-4-3-5-17(16)20(14)25)24-23(29)22(28)21(27)19(12-26)31-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.551n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159471
PNG
(US9034921, E113)
Show SMILES COc1cc(cc(Cc2ccc3OCCOc3c2)c1Cl)[C@@H]1O[C@H](SC)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C22H25ClO7S/c1-27-16-10-13(21-19(25)18(24)20(26)22(30-21)31-2)9-12(17(16)23)7-11-3-4-14-15(8-11)29-6-5-28-14/h3-4,8-10,18-22,24-26H,5-7H2,1-2H3/t18-,19-,20+,21+,22-/s2
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n/an/a 0.551n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159599
PNG
(US9034921, E242 | US9340521, E036)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCSc3c2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO6S/c1-29-14-6-4-12(5-7-14)9-13-10-16(15-3-2-8-31-23(15)18(13)24)22-21(28)20(27)19(26)17(11-25)30-22/h4-7,10,17,19-22,25-28H,2-3,8-9,11H2,1H3/t17-,19-,20+,21-,22+/s2
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n/an/a 0.552n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50275414
PNG
(2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...)
Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc(o1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H19BrCl3N7O/c30-19-5-1-17(2-6-19)26-22(14-39-16-34-15-35-39)25(38-40(26)24-10-9-21(32)13-23(24)33)27-36-37-28(41-27)29(11-12-29)18-3-7-20(31)8-4-18/h1-10,13,15-16H,11-12,14H2
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n/an/a 0.570n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebellum by liquid scintillation spectrometry


J Med Chem 51: 7216-33 (2009)


Article DOI: 10.1021/jm800843r
BindingDB Entry DOI: 10.7270/Q2PK0G0G
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159537
PNG
(US9034921, E180)
Show SMILES CC(=C)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H27ClO6/c1-12(2)14-5-3-13(4-6-14)9-15-10-17(16-7-8-30-23(16)19(15)25)24-22(29)21(28)20(27)18(11-26)31-24/h3-6,10,18,20-22,24,26-29H,1,7-9,11H2,2H3/t18-,20-,21+,22-,24+/s2
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n/an/a 0.574n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes after 30 mins


Bioorg Med Chem 18: 6377-88 (2010)


Article DOI: 10.1016/j.bmc.2010.07.013
BindingDB Entry DOI: 10.7270/Q2XG9RBT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159464
PNG
(US9034921, E106)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc3OCCOc3c2)c(Cl)c2CCCc12 |r|
Show InChI InChI=1/C24H27ClO7/c25-20-13(8-12-4-5-17-18(9-12)31-7-6-30-17)10-16(14-2-1-3-15(14)20)24-23(29)22(28)21(27)19(11-26)32-24/h4-5,9-10,19,21-24,26-29H,1-3,6-8,11H2/t19-,21-,22+,23-,24+/s2
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n/an/a 0.616n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159595
PNG
(US9034921, E238 | US9340521, E033)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H29ClO5/c1-2-13-6-8-14(9-7-13)10-15-11-18(16-4-3-5-17(16)20(15)25)24-23(29)22(28)21(27)19(12-26)30-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.627n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159455
PNG
(US9034921, E095)
Show SMILES COc1cc(Cl)c(Cc2ccc3OCCOc3c2)cc1[C@@H]1O[C@H](SC)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C22H25ClO7S/c1-27-16-10-14(23)12(7-11-3-4-15-17(8-11)29-6-5-28-15)9-13(16)21-19(25)18(24)20(26)22(30-21)31-2/h3-4,8-10,18-22,24-26H,5-7H2,1-2H3/t18-,19-,20+,21+,22-/s2
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n/an/a 0.628n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159451
PNG
(US9034921, E091)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OCCOc3c2)c1 |r|
Show InChI InChI=1/C21H23ClO6S/c1-29-21-19(25)17(23)18(24)20(28-21)12-3-4-14(22)13(10-12)8-11-2-5-15-16(9-11)27-7-6-26-15/h2-5,9-10,17-21,23-25H,6-8H2,1H3/t17-,18-,19+,20+,21-/s2
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n/an/a 0.629n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159521
PNG
(US9034921, E163 | US9340521, E027)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCCOc12 |r|
Show InChI InChI=1/C24H27ClO7/c25-18-15(9-12-1-3-13(4-2-12)14-5-6-14)10-16(23-24(18)31-8-7-30-23)22-21(29)20(28)19(27)17(11-26)32-22/h1-4,10,14,17,19-22,26-29H,5-9,11H2/t17-,19-,20+,21-,22+/s2
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n/an/a 0.651n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159390
PNG
(US9034921, E004 | US9340521, E003)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Br)cc1 |r|
Show InChI InChI=1/C24H29BrO5/c1-2-13-6-8-14(9-7-13)10-15-11-18(16-4-3-5-17(16)20(15)25)24-23(29)22(28)21(27)19(12-26)30-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.661n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159476
PNG
(US9034921, E118)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2CCCc12 |r|
Show InChI InChI=1/C25H29ClO5/c26-21-16(10-13-4-6-14(7-5-13)15-8-9-15)11-19(17-2-1-3-18(17)21)25-24(30)23(29)22(28)20(12-27)31-25/h4-7,11,15,20,22-25,27-30H,1-3,8-10,12H2/t20-,22-,23+,24-,25+/s2
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US Patent
n/an/a 0.678n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159391
PNG
(US9034921, E005 | US9340521, E004)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO6/c1-29-14-7-5-12(6-8-14)9-13-10-17(15-3-2-4-16(15)19(13)24)23-22(28)21(27)20(26)18(11-25)30-23/h5-8,10,18,20-23,25-28H,2-4,9,11H2,1H3/t18-,20-,21+,22-,23+/s2
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n/an/a 0.681n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50325211
PNG
(2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...)
Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21BrClN7S/c1-24(2,3)23-30-29-22(34-23)20-17(12-32-14-27-13-28-32)21(15-8-10-16(25)11-9-15)33(31-20)19-7-5-4-6-18(19)26/h4-11,13-14H,12H2,1-3H3
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n/an/a 0.681n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 6377-88 (2010)


Article DOI: 10.1016/j.bmc.2010.07.013
BindingDB Entry DOI: 10.7270/Q2XG9RBT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159503
PNG
(US9034921, E145 | US9340521, E020)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c3OC(C)Cc3c2Cl)cc1 |r,w:24.25|
Show InChI InChI=1/C24H29ClO6S/c1-4-29-15-7-5-13(6-8-15)10-14-11-17(22-16(18(14)25)9-12(2)30-22)23-20(27)19(26)21(28)24(31-23)32-3/h5-8,11-12,19-21,23-24,26-28H,4,9-10H2,1-3H3/t12?,19-,20-,21+,23+,24-/s2
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n/an/a 0.685n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159490
PNG
(US9034921, E132)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OC(C)Cc3c2Cl)cc1 |r,w:23.24|
Show InChI InChI=1/C24H29ClO6/c1-3-13-4-6-14(7-5-13)9-15-10-17(23-16(19(15)25)8-12(2)30-23)24-22(29)21(28)20(27)18(11-26)31-24/h4-7,10,12,18,20-22,24,26-29H,3,8-9,11H2,1-2H3/t12?,18-,20-,21+,22-,24+/s2
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n/an/a 0.706n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159403
PNG
(US9034921, E020)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h3-6,10,17,19-21,23,25-28H,2,7-9,11H2,1H3/t17-,19-,20+,21-,23+/s2
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n/an/a 0.715n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159596
PNG
(US9034921, E239)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2C(F)F)cc1 |r|
Show InChI InChI=1/C25H30F2O5/c1-2-13-6-8-14(9-7-13)10-15-11-18(16-4-3-5-17(16)20(15)25(26)27)24-23(31)22(30)21(29)19(12-28)32-24/h6-9,11,19,21-25,28-31H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.718n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50333628
PNG
((2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(furan-2-yl)thi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1 |r|
Show InChI InChI=1S/C20H20ClNO6S/c21-12-4-3-10(20-19(26)18(25)17(24)14(9-23)28-20)6-11(12)7-16-22-8-15(29-16)13-2-1-5-27-13/h1-6,8,14,17-20,23-26H,7,9H2/t14-,17-,18+,19-,20+/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 182-187 (2011)


Article DOI: 10.1021/ml100256c
BindingDB Entry DOI: 10.7270/Q2959HVZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159511
PNG
(US9034921, E153)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3C(C)COc3c2Cl)cc1 |r,w:22.23|
Show InChI InChI=1/C24H29ClO6/c1-3-13-4-6-14(7-5-13)8-15-9-16(18-12(2)11-30-24(18)19(15)25)23-22(29)21(28)20(27)17(10-26)31-23/h4-7,9,12,17,20-23,26-29H,3,8,10-11H2,1-2H3/t12?,17-,20-,21+,22-,23+/s2
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n/an/a 0.721n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159483
PNG
(US9034921, E125)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)c3CCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO6/c1-3-28-15-6-4-13(5-7-15)10-14-11-17(16-8-9-29-22(16)18(14)24)23-21(27)20(26)19(25)12(2)30-23/h4-7,11-12,19-21,23,25-27H,3,8-10H2,1-2H3/t12-,19-,20+,21-,23+/s2
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n/an/a 0.728n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159594
PNG
(US9034921, E237 | US9340521, E032)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2C(F)F)cc1 |r|
Show InChI InChI=1/C24H28F2O6/c1-31-14-7-5-12(6-8-14)9-13-10-17(15-3-2-4-16(15)19(13)24(25)26)23-22(30)21(29)20(28)18(11-27)32-23/h5-8,10,18,20-24,27-30H,2-4,9,11H2,1H3/t18-,20-,21+,22-,23+/s2
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n/an/a 0.734n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159389
PNG
(US9034921, E003 | US9340521, E002)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Br)cc1 |r|
Show InChI InChI=1/C24H29BrO6/c1-2-30-15-8-6-13(7-9-15)10-14-11-18(16-4-3-5-17(16)20(14)25)24-23(29)22(28)21(27)19(12-26)31-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/s2
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n/an/a 0.738n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159475
PNG
(US9034921, E117)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2CCCc12 |r|
Show InChI InChI=1/C24H27ClO5/c1-2-13-6-8-14(9-7-13)10-15-11-18(16-4-3-5-17(16)20(15)25)24-23(29)22(28)21(27)19(12-26)30-24/h2,6-9,11,19,21-24,26-29H,1,3-5,10,12H2/t19-,21-,22+,23-,24+/s2
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n/an/a 0.742n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM159406
PNG
(US9034921, E023 | US9340521, E014)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H29ClO6/c1-2-13-5-7-14(8-6-13)10-15-11-17(16-4-3-9-30-23(16)19(15)25)24-22(29)21(28)20(27)18(12-26)31-24/h5-8,11,18,20-22,24,26-29H,2-4,9-10,12H2,1H3/t18-,20-,21+,22-,24+/s2
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n/an/a 0.753n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...


US Patent US9034921 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RMT
More data for this
Ligand-Target Pair
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