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Compile Data Set for Download or QSAR

Found 2018 hits with Last Name = 'seo' and Initial = 'hj'   
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))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
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
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
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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))
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
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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
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
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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
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
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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98n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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290n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
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))
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 0.370n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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 0.370n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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 0.400n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
BDBM159387
PNG
(US9034921, E001 | US9340521, E001)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Br)cc1 |r|
Show InChI InChI=1/C23H27BrO6/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 0.440n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
BDBM228482
PNG
(US9340521, E029)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](SO)[C@@H](O)[C@H](O)[C@H]3O)c3OCCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C22H25ClO7S/c1-28-13-6-4-11(5-7-13)9-12-10-15(20-14(16(12)23)3-2-8-29-20)21-18(25)17(24)19(26)22(30-21)31-27/h4-7,10,17-19,21-22,24-27H,2-3,8-9H2,1H3/t17-,18-,19+,21+,22-/s2
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n/an/a 0.470n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SGLT2 expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 18: 2178-94 (2010)


Article DOI: 10.1016/j.bmc.2010.01.073
BindingDB Entry DOI: 10.7270/Q2MG7QF6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM228499
PNG
(US9340521, E051)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r|
Show InChI InChI=1/C22H25ClO7S/c1-3-27-13-6-4-11(5-7-13)8-12-9-14(20-21(15(12)23)29-10-28-20)19-17(25)16(24)18(26)22(30-19)31-2/h4-7,9,16-19,22,24-26H,3,8,10H2,1-2H3/t16-,17-,18+,19+,22-/s2
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n/an/a 0.490n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM228491
PNG
(US9340521, E043)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C25H31ClO5/c1-2-14-7-9-15(10-8-14)11-16-12-19(17-5-3-4-6-18(17)21(16)26)25-24(30)23(29)22(28)20(13-27)31-25/h7-10,12,20,22-25,27-30H,2-6,11,13H2,1H3/t20-,22-,23+,24-,25+/s2
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n/an/a 0.490n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
BDBM228496
PNG
(US9340521, E048)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C23H27ClO5S/c1-28-14-8-6-12(7-9-14)10-13-11-17(15-4-3-5-16(15)18(13)24)22-20(26)19(25)21(27)23(29-22)30-2/h6-9,11,19-23,25-27H,3-5,10H2,1-2H3/t19-,20-,21+,22+,23-/s2
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n/an/a 0.5n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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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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 0.550n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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 0.550n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
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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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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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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM228492
PNG
(US9340521, E044)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCCc3c2C)cc1 |r|
Show InChI InChI=1/C26H34O5/c1-3-16-8-10-17(11-9-16)12-18-13-21(20-7-5-4-6-19(20)15(18)2)26-25(30)24(29)23(28)22(14-27)31-26/h8-11,13,22-30H,3-7,12,14H2,1-2H3/t22-,23-,24+,25-,26+/s2
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n/an/a 0.590n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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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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))
BDBM228486
PNG
(US9340521, E038)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C24H29ClO6/c1-30-15-8-6-13(7-9-15)10-14-11-18(16-4-2-3-5-17(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 0.600n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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 0.610n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
BDBM228487
PNG
(US9340521, E039)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCCc3c2Cl)cc1 |r|
Show InChI InChI=1/C25H31ClO6/c1-2-31-16-9-7-14(8-10-16)11-15-12-19(17-5-3-4-6-18(17)21(15)26)25-24(30)23(29)22(28)20(13-27)32-25/h7-10,12,20,22-25,27-30H,2-6,11,13H2,1H3/t20-,22-,23+,24-,25+/s2
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n/an/a 0.620n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
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))
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 0.630n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
PDB

KEGG

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n/an/a 0.640n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
PDB

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n/an/a 0.640n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
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 0.650n/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 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
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