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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 9860   
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 1


(Homo sapiens (Human))
BDBM493926
PNG
(US10988462, Example 37)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)N(C)C |r|
Show InChI InChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.980n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493905
PNG
(US10988462, Example 20)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-20-9-18(37(36-20)15-4-5-19(33-10-15)24(27,28)29)13-6-14(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493906
PNG
(US10988462, Example 21)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C24H22F5N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-15(26)9-30-10-16)13-4-14(25)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493894
PNG
(US10988462, Example 10)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-18(11-34-21(12)38)22(39)35-20-8-19(37(36-20)16-6-14(9-33-10-16)24(27,28)29)13-4-15(26)7-17(5-13)40-23(2,3)25(30,31)32/h4-10,12,18H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493901
PNG
(US10988462, Example 17)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C24H22ClF4N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-14(25)9-30-10-16)13-4-15(26)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493879
PNG
(US10988462, Example 1)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-16(10-32-19(11)38)20(39)35-18-7-17(37(36-18)14-8-33-21(34-9-14)23(26,27)28)12-4-13(25)6-15(5-12)40-22(2,3)24(29,30)31/h4-9,11,16H,10H2,1-3H3,(H,32,38)(H,35,36,39)/t11-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493925
PNG
(US10988462, Example 36)
Show SMILES COc1ncc(cn1)-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cc(F)cc(OC(C)(C)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C24H24F4N6O4/c1-12-17(11-29-20(12)35)21(36)32-19-8-18(34(33-19)15-9-30-22(37-4)31-10-15)13-5-14(25)7-16(6-13)38-23(2,3)24(26,27)28/h5-10,12,17H,11H2,1-4H3,(H,29,35)(H,32,33,36)/t12-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493917
PNG
(US10988462, Example 30)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C21H16ClF4N5O3/c1-10-16(9-28-19(10)32)20(33)29-18-6-17(31(30-18)14-4-12(22)7-27-8-14)11-2-13(23)5-15(3-11)34-21(24,25)26/h2-8,10,16H,9H2,1H3,(H,28,32)(H,29,30,33)/t10-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493897
PNG
(US10988462, Example 13)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(10-34-21(12)38)22(39)35-20-9-18(37(36-20)19-11-33-5-4-17(19)24(27,28)29)13-6-14(26)8-15(7-13)40-23(2,3)25(30,31)32/h4-9,11-12,16H,10H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493907
PNG
(US10988462, Example 22)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncnc1 |r|
Show InChI InChI=1S/C23H22F4N6O3/c1-12-17(10-30-20(12)34)21(35)31-19-7-18(33(32-19)15-8-28-11-29-9-15)13-4-14(24)6-16(5-13)36-22(2,3)23(25,26)27/h4-9,11-12,17H,10H2,1-3H3,(H,30,34)(H,31,32,35)/t12-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493898
PNG
(US10988462, Example 14)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C#N |r|
Show InChI InChI=1S/C25H22F4N6O3/c1-13-18(11-32-22(13)36)23(37)33-21-9-19(35(34-21)20-12-31-5-4-14(20)10-30)15-6-16(26)8-17(7-15)38-24(2,3)25(27,28)29/h4-9,12-13,18H,11H2,1-3H3,(H,32,36)(H,33,34,37)/t13-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493927
PNG
(US10988462, Example 38)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H24F4N6O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-9-29-13(2)30-10-16)14-5-15(25)7-17(6-14)37-23(3,4)24(26,27)28/h5-10,12,18H,11H2,1-4H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493896
PNG
(US10988462, Example 12)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cccnc1C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(11-34-21(12)38)22(39)35-19-10-18(37(36-19)17-5-4-6-33-20(17)24(27,28)29)13-7-14(26)9-15(8-13)40-23(2,3)25(30,31)32/h4-10,12,16H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493924
PNG
(US10988462, Example 35)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493909
PNG
(US10988462, Example 24)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-19-9-18(37(36-19)20-5-4-14(10-33-20)24(27,28)29)13-6-15(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493918
PNG
(US10988462, Example 31)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F7N5O3/c1-11-17(9-32-20(11)36)21(37)33-19-6-18(12-2-14(24)5-16(3-12)38-10-22(25,26)27)35(34-19)15-4-13(7-31-8-15)23(28,29)30/h2-8,11,17H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493910
PNG
(US10988462, Example 25)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F7N6O3/c1-10-15(8-30-18(10)36)19(37)33-17-5-16(11-2-12(23)4-14(3-11)38-9-21(24,25)26)35(34-17)13-6-31-20(32-7-13)22(27,28)29/h2-7,10,15H,8-9H2,1H3,(H,30,36)(H,33,34,37)/t10-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493921
PNG
(US10988462, Example 33)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F7N5O3/c1-11-16(9-32-20(11)36)21(37)33-19-7-17(12-4-13(24)6-15(5-12)38-10-22(25,26)27)35(34-19)14-2-3-18(31-8-14)23(28,29)30/h2-8,11,16H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,16+/m1/s1
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493899
PNG
(US10988462, Example 15)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(8-34-20(11)38)21(39)35-18-7-16(37(36-18)19-10-32-17(9-33-19)23(26,27)28)12-4-13(25)6-14(5-12)40-22(2,3)24(29,30)31/h4-7,9-11,15H,8H2,1-3H3,(H,34,38)(H,35,36,39)/t11-,15+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493914
PNG
(US10988462, Example 28)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16F7N5O3/c1-10-15(9-31-19(10)35)20(36)32-18-7-16(11-4-12(23)6-14(5-11)37-22(27,28)29)34(33-18)13-2-3-17(30-8-13)21(24,25)26/h2-8,10,15H,9H2,1H3,(H,31,35)(H,32,33,36)/t10-,15+/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493895
PNG
(US10988462, Example 11)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cccnc1C#N |r|
Show InChI InChI=1S/C25H22F4N6O3/c1-13-17(12-32-22(13)36)23(37)33-21-10-20(35(34-21)19-5-4-6-31-18(19)11-30)14-7-15(26)9-16(8-14)38-24(2,3)25(27,28)29/h4-10,13,17H,12H2,1-3H3,(H,32,36)(H,33,34,37)/t13-,17+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493886
PNG
(US10988462, Example 3)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16F7N5O3/c1-10-16(9-31-19(10)35)20(36)32-18-6-17(11-2-13(23)5-15(3-11)37-22(27,28)29)34(33-18)14-4-12(7-30-8-14)21(24,25)26/h2-8,10,16H,9H2,1H3,(H,31,35)(H,32,33,36)/t10-,16+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493890
PNG
(US10988462, Example 6)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C21H17ClF3N5O3/c1-11-16(10-27-19(11)31)20(32)28-18-7-17(30(29-18)14-6-13(22)8-26-9-14)12-3-2-4-15(5-12)33-21(23,24)25/h2-9,11,16H,10H2,1H3,(H,27,31)(H,28,29,32)/t11-,16+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493923
PNG
(US10988462, Example 34)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C22H18F5N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-14(24)7-28-8-15)12-2-13(23)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17+/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493908
PNG
(US10988462, Example 23)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccn1 |r|
Show InChI InChI=1S/C23H22F4N6O3/c1-12-16(10-30-20(12)34)21(35)31-18-9-17(33(32-18)19-11-28-4-5-29-19)13-6-14(24)8-15(7-13)36-22(2,3)23(25,26)27/h4-9,11-12,16H,10H2,1-3H3,(H,30,34)(H,31,32,35)/t12-,16+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493885
PNG
(US10988462, Example 2)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C21H16F5N5O3/c1-10-16(9-28-19(10)32)20(33)29-18-6-17(31(30-18)14-4-13(23)7-27-8-14)11-2-12(22)5-15(3-11)34-21(24,25)26/h2-8,10,16H,9H2,1H3,(H,28,32)(H,29,30,33)/t10-,16+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493891
PNG
(US10988462, Example 7)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F6N5O3/c1-11-16(10-30-19(11)34)20(35)31-18-7-17(12-3-2-4-15(5-12)36-22(26,27)28)33(32-18)14-6-13(8-29-9-14)21(23,24)25/h2-9,11,16H,10H2,1H3,(H,30,34)(H,31,32,35)/t11-,16+/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493888
PNG
(US10988462, Example 5)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C21H17F4N5O3/c1-11-16(10-27-19(11)31)20(32)28-18-7-17(30(29-18)14-6-13(22)8-26-9-14)12-3-2-4-15(5-12)33-21(23,24)25/h2-9,11,16H,10H2,1H3,(H,27,31)(H,28,29,32)/t11-,16+/m1/s1
PDB

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n/an/a 22n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493887
PNG
(US10988462, Example 4)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C)c2)n(n1)-c1cnccn1 |r|
Show InChI InChI=1S/C23H25FN6O3/c1-13-17(11-27-21(13)31)22(32)28-19-10-18(30(29-19)20-12-25-5-6-26-20)14-7-15(24)9-16(8-14)33-23(2,3)4/h5-10,12-13,17H,11H2,1-4H3,(H,27,31)(H,28,29,32)/t13-,17+/m1/s1
PDB

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n/an/a 23n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493904
PNG
(US10988462, Example 19)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1nccnc1C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(10-34-20(11)38)21(39)35-17-9-16(37(36-17)19-18(23(26,27)28)32-4-5-33-19)12-6-13(25)8-14(7-12)40-22(2,3)24(29,30)31/h4-9,11,15H,10H2,1-3H3,(H,34,38)(H,35,36,39)/t11-,15+/m1/s1
PDB

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n/an/a 29n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493903
PNG
(US10988462, Example 18)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(8-33-20(11)38)21(39)35-18-7-16(37(36-18)19-10-32-9-17(34-19)23(26,27)28)12-4-13(25)6-14(5-12)40-22(2,3)24(29,30)31/h4-7,9-11,15H,8H2,1-3H3,(H,33,38)(H,35,36,39)/t11-,15+/m1/s1
PDB

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n/an/a 29n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493913
PNG
(US10988462, Example 27)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H15F7N6O3/c1-9-14(8-29-17(9)35)18(36)32-16-5-15(10-2-11(22)4-13(3-10)37-21(26,27)28)34(33-16)12-6-30-19(31-7-12)20(23,24)25/h2-7,9,14H,8H2,1H3,(H,29,35)(H,32,33,36)/t9-,14+/m1/s1
PDB

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n/an/a 30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493911
PNG
(US10988462, Example 26)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H16F6N6O3/c1-10-14(9-28-17(10)34)18(35)31-16-6-15(11-3-2-4-13(5-11)36-21(25,26)27)33(32-16)12-7-29-19(30-8-12)20(22,23)24/h2-8,10,14H,9H2,1H3,(H,28,34)(H,31,32,35)/t10-,14+/m1/s1
PDB

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n/an/a 47n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493916
PNG
(US10988462, Example 29)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncnc1 |r|
Show InChI InChI=1S/C20H16F4N6O3/c1-10-15(8-27-18(10)31)19(32)28-17-5-16(30(29-17)13-6-25-9-26-7-13)11-2-12(21)4-14(3-11)33-20(22,23)24/h2-7,9-10,15H,8H2,1H3,(H,27,31)(H,28,29,32)/t10-,15+/m1/s1
PDB

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n/an/a 52n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493920
PNG
(US10988462, Example 32)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncnc1 |r|
Show InChI InChI=1S/C21H18F4N6O3/c1-11-16(8-28-19(11)32)20(33)29-18-5-17(31(30-18)14-6-26-10-27-7-14)12-2-13(22)4-15(3-12)34-9-21(23,24)25/h2-7,10-11,16H,8-9H2,1H3,(H,28,32)(H,29,30,33)/t11-,16+/m1/s1
PDB

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n/an/a 69n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493892
PNG
(US10988462, Example 9)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccnc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(10-33-19(11)38)20(39)34-17-9-16(37(36-17)18-4-5-32-21(35-18)23(26,27)28)12-6-13(25)8-14(7-12)40-22(2,3)24(29,30)31/h4-9,11,15H,10H2,1-3H3,(H,33,38)(H,34,36,39)/t11-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 73n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM493900
PNG
(US10988462, Example 16)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(10-33-19(11)38)20(39)35-18-9-16(37(36-18)21-32-5-4-17(34-21)23(26,27)28)12-6-13(25)8-14(7-12)40-22(2,3)24(29,30)31/h4-9,11,15H,10H2,1-3H3,(H,33,38)(H,35,36,39)/t11-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 83n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...


US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair