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Compile Data Set for Download or QSAR

Found 1018 hits with Last Name = 'sugimoto' and Initial = 'k'   
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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442489
PNG
(CHEMBL2440417)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-
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1.30n/an/an/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of wild-type human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli using geraniol as substrate by dou...


Bioorg Med Chem 21: 6378-84 (2013)


Article DOI: 10.1016/j.bmc.2013.08.059
BindingDB Entry DOI: 10.7270/Q25T3MX4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132916
PNG
(US8846746, 194)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(c2)C(C)(C)C)n(n1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H27ClN4O2/c1-15-18(14-27-23(15)31)24(32)28-22-13-21(16-8-7-9-17(12-16)25(2,3)4)30(29-22)20-11-6-5-10-19(20)26/h5-13,15,18H,14H2,1-4H3,(H,27,31)(H,28,29,32)/t15-,18+/s2
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US Patent
n/an/a 0.700n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132862
PNG
(US8846746, 132)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1Cl |r|
Show InChI InChI=1/C24H25ClN4O2/c1-24(2,3)17-8-6-7-15(11-17)20-13-21(27-23(31)16-12-22(30)26-14-16)28-29(20)19-10-5-4-9-18(19)25/h4-11,13,16H,12,14H2,1-3H3,(H,26,30)(H,27,28,31)/t16-/s2
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n/an/a 0.900n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133145
PNG
(US8846746, 463)
Show SMILES CCOc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C26H26F4N4O4/c1-3-37-19-7-8-20(27)22(11-19)34-21(12-23(33-34)32-25(36)18-10-24(35)31-13-18)17-6-4-5-16(9-17)14-38-15(2)26(28,29)30/h4-9,11-12,15,18H,3,10,13-14H2,1-2H3,(H,31,35)(H,32,33,36)/t15-,18+/s2
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n/an/a 1.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132882
PNG
(US8846746, 154)
Show SMILES CCC(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)nn1-c1ccccc1 |r|
Show InChI InChI=1/C24H24F2N4O2/c1-3-24(25,26)17-9-7-8-16(12-17)20-13-21(29-30(20)18-10-5-4-6-11-18)28-23(32)19-14-27-22(31)15(19)2/h4-13,15,19H,3,14H2,1-2H3,(H,27,31)(H,28,29,32)/t15-,19+/s2
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n/an/a 1.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132870
PNG
(US8846746, 140)
Show SMILES CCC(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1Cl |r|
Show InChI InChI=1/C23H21ClF2N4O2/c1-2-23(25,26)16-7-5-6-14(10-16)19-12-20(28-22(32)15-11-21(31)27-13-15)29-30(19)18-9-4-3-8-17(18)24/h3-10,12,15H,2,11,13H2,1H3,(H,27,31)(H,28,29,32)/t15-/s2
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n/an/a 1.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132856
PNG
(US8846746, 126)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1cccc(Cl)c1 |r|
Show InChI InChI=1/C24H25ClN4O2/c1-24(2,3)17-7-4-6-15(10-17)20-13-21(27-23(31)16-11-22(30)26-14-16)28-29(20)19-9-5-8-18(25)12-19/h4-10,12-13,16H,11,14H2,1-3H3,(H,26,30)(H,27,28,31)/t16-/s2
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n/an/a 1.20n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132874
PNG
(US8846746, 144)
Show SMILES CCC(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1C |r|
Show InChI InChI=1/C24H24F2N4O2/c1-3-24(25,26)18-9-6-8-16(11-18)20-13-21(28-23(32)17-12-22(31)27-14-17)29-30(20)19-10-5-4-7-15(19)2/h4-11,13,17H,3,12,14H2,1-2H3,(H,27,31)(H,28,29,32)/t17-/s2
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n/an/a 1.30n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132915
PNG
(US8846746, 193)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1ccccc1Cl |r|
Show InChI InChI=1/C22H18ClF3N4O3/c1-12-15(11-27-20(12)31)21(32)28-19-10-18(30(29-19)17-8-3-2-7-16(17)23)13-5-4-6-14(9-13)33-22(24,25)26/h2-10,12,15H,11H2,1H3,(H,27,31)(H,28,29,32)/t12-,15+/s2
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n/an/a 1.30n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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n/an/a 1.30n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132860
PNG
(US8846746, 130)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1Cl |r|
Show InChI InChI=1/C21H16ClF3N4O3/c22-15-6-1-2-7-16(15)29-17(12-4-3-5-14(8-12)32-21(23,24)25)10-18(28-29)27-20(31)13-9-19(30)26-11-13/h1-8,10,13H,9,11H2,(H,26,30)(H,27,28,31)/t13-/s2
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n/an/a 1.30n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132929
PNG
(US8846746, 208)
Show SMILES CCC(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)nn1-c1ccccc1Cl |r|
Show InChI InChI=1/C24H23ClF2N4O2/c1-3-24(26,27)16-8-6-7-15(11-16)20-12-21(29-23(33)17-13-28-22(32)14(17)2)30-31(20)19-10-5-4-9-18(19)25/h4-12,14,17H,3,13H2,1-2H3,(H,28,32)(H,29,30,33)/t14-,17+/s2
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Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132848
PNG
(US8846746, 117)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1F |r|
Show InChI InChI=1/C23H23FN4O2/c1-2-6-15-7-5-8-16(11-15)20-13-21(26-23(30)17-12-22(29)25-14-17)27-28(20)19-10-4-3-9-18(19)24/h3-5,7-11,13,17H,2,6,12,14H2,1H3,(H,25,29)(H,26,27,30)/t17-/s2
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Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133143
PNG
(US8846746, 461)
Show SMILES CC(C)Oc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(COCC(F)(F)F)c1 |r|
Show InChI InChI=1/C26H26F4N4O4/c1-15(2)38-19-6-7-20(27)22(10-19)34-21(11-23(33-34)32-25(36)18-9-24(35)31-12-18)17-5-3-4-16(8-17)13-37-14-26(28,29)30/h3-8,10-11,15,18H,9,12-14H2,1-2H3,(H,31,35)(H,32,33,36)/t18-/s2
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Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133146
PNG
(US8846746, 464)
Show SMILES CC(C)Oc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C27H28F4N4O4/c1-15(2)39-20-7-8-21(28)23(11-20)35-22(12-24(34-35)33-26(37)19-10-25(36)32-13-19)18-6-4-5-17(9-18)14-38-16(3)27(29,30)31/h4-9,11-12,15-16,19H,10,13-14H2,1-3H3,(H,32,36)(H,33,34,37)/t16-,19+/s2
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Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132857
PNG
(US8846746, 127)
Show SMILES Cc1cccc(c1)-n1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(c1)C(C)(C)C |r|
Show InChI InChI=1/C25H28N4O2/c1-16-7-5-10-20(11-16)29-21(17-8-6-9-19(12-17)25(2,3)4)14-22(28-29)27-24(31)18-13-23(30)26-15-18/h5-12,14,18H,13,15H2,1-4H3,(H,26,30)(H,27,28,31)/t18-/s2
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n/an/a 1.40n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132936
PNG
(US8846746, 215)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(n1)-c1ccccc1Cl |r|
Show InChI InChI=1/C23H20ClF3N4O3/c1-13-16(11-28-21(13)32)22(33)29-20-10-19(31(30-20)18-8-3-2-7-17(18)24)14-5-4-6-15(9-14)34-12-23(25,26)27/h2-10,13,16H,11-12H2,1H3,(H,28,32)(H,29,30,33)/t13-,16+/s2
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n/an/a 1.40n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132924
PNG
(US8846746, 203)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(c2)C(F)(F)F)n(n1)-c1ccccc1Cl |r|
Show InChI InChI=1/C22H18ClF3N4O2/c1-12-15(11-27-20(12)31)21(32)28-19-10-18(13-5-4-6-14(9-13)22(24,25)26)30(29-19)17-8-3-2-7-16(17)23/h2-10,12,15H,11H2,1H3,(H,27,31)(H,28,29,32)/t12-,15+/s2
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n/an/a 1.40n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133055
PNG
(US8846746, 360)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)C2CNC(=O)C22CC2)nn1-c1ccccc1
Show InChI InChI=1/C25H26N4O2/c1-2-7-17-8-6-9-18(14-17)21-15-22(28-29(21)19-10-4-3-5-11-19)27-23(30)20-16-26-24(31)25(20)12-13-25/h3-6,8-11,14-15,20H,2,7,12-13,16H2,1H3,(H,26,31)(H,27,28,30)
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n/an/a 1.5n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132868
PNG
(US8846746, 138)
Show SMILES CC(C)C(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 |r|
Show InChI InChI=1/C24H24F2N4O2/c1-15(2)24(25,26)18-8-6-7-16(11-18)20-13-21(28-23(32)17-12-22(31)27-14-17)29-30(20)19-9-4-3-5-10-19/h3-11,13,15,17H,12,14H2,1-2H3,(H,27,31)(H,28,29,32)/t17-/s2
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n/an/a 1.5n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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n/an/a 1.5n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133004
PNG
(US8846746, 302)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)C2CCS(=O)(=O)CC2)nn1-c1ccccc1
Show InChI InChI=1S/C24H27N3O3S/c1-2-7-18-8-6-9-20(16-18)22-17-23(26-27(22)21-10-4-3-5-11-21)25-24(28)19-12-14-31(29,30)15-13-19/h3-6,8-11,16-17,19H,2,7,12-15H2,1H3,(H,25,26,28)
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n/an/a 1.5n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132803
PNG
(US8846746, 70)
Show SMILES CC(C)Cc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 |r|
Show InChI InChI=1/C24H26N4O2/c1-16(2)11-17-7-6-8-18(12-17)21-14-22(26-24(30)19-13-23(29)25-15-19)27-28(21)20-9-4-3-5-10-20/h3-10,12,14,16,19H,11,13,15H2,1-2H3,(H,25,29)(H,26,27,30)/t19-/s2
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n/an/a 1.60n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133134
PNG
(US8846746, 452)
Show SMILES CCOc1cccc(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C26H27F3N4O4/c1-3-36-21-9-5-8-20(12-21)33-22(13-23(32-33)31-25(35)19-11-24(34)30-14-19)18-7-4-6-17(10-18)15-37-16(2)26(27,28)29/h4-10,12-13,16,19H,3,11,14-15H2,1-2H3,(H,30,34)(H,31,32,35)/t16-,19+/s2
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n/an/a 1.70n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133135
PNG
(US8846746, 453)
Show SMILES CCCOc1cccc(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C27H29F3N4O4/c1-3-10-37-22-9-5-8-21(13-22)34-23(14-24(33-34)32-26(36)20-12-25(35)31-15-20)19-7-4-6-18(11-19)16-38-17(2)27(28,29)30/h4-9,11,13-14,17,20H,3,10,12,15-16H2,1-2H3,(H,31,35)(H,32,33,36)/t17-,20+/s2
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n/an/a 1.70n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133147
PNG
(US8846746, 465)
Show SMILES COCCOc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C27H28F4N4O5/c1-16(27(29,30)31)40-15-17-4-3-5-18(10-17)22-13-24(33-26(37)19-11-25(36)32-14-19)34-35(22)23-12-20(6-7-21(23)28)39-9-8-38-2/h3-7,10,12-13,16,19H,8-9,11,14-15H2,1-2H3,(H,32,36)(H,33,34,37)/t16-,19+/s2
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n/an/a 1.70n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132809
PNG
(US8846746, 76)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1cccc(C)c1 |r|
Show InChI InChI=1/C24H26N4O2/c1-3-6-17-8-5-9-18(12-17)21-14-22(26-24(30)19-13-23(29)25-15-19)27-28(21)20-10-4-7-16(2)11-20/h4-5,7-12,14,19H,3,6,13,15H2,1-2H3,(H,25,29)(H,26,27,30)/t19-/s2
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n/an/a 1.70n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132869
PNG
(US8846746, 139)
Show SMILES CCC(F)(F)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1cccc(Cl)c1 |r|
Show InChI InChI=1/C23H21ClF2N4O2/c1-2-23(25,26)16-6-3-5-14(9-16)19-12-20(28-22(32)15-10-21(31)27-13-15)29-30(19)18-8-4-7-17(24)11-18/h3-9,11-12,15H,2,10,13H2,1H3,(H,27,31)(H,28,29,32)/t15-/s2
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n/an/a 1.70n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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n/an/a 1.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132759
PNG
(US8846746, 25)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 |r|
Show InChI InChI=1/C24H26N4O2/c1-24(2,3)18-9-7-8-16(12-18)20-14-21(26-23(30)17-13-22(29)25-15-17)27-28(20)19-10-5-4-6-11-19/h4-12,14,17H,13,15H2,1-3H3,(H,25,29)(H,26,27,30)/t17-/s2
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n/an/a 1.80n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133209
PNG
(US8846746, 534)
Show SMILES CCOc1cc(F)cc(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C26H26F4N4O4/c1-3-37-21-10-19(27)9-20(11-21)34-22(12-23(33-34)32-25(36)18-8-24(35)31-13-18)17-6-4-5-16(7-17)14-38-15(2)26(28,29)30/h4-7,9-12,15,18H,3,8,13-14H2,1-2H3,(H,31,35)(H,32,33,36)/t15-,18+/s2
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n/an/a 1.80n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132823
PNG
(US8846746, 91)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)nn1-c1ccccc1 |r|
Show InChI InChI=1/C24H26N4O2/c1-3-8-17-9-7-10-18(13-17)21-14-22(27-28(21)19-11-5-4-6-12-19)26-24(30)20-15-25-23(29)16(20)2/h4-7,9-14,16,20H,3,8,15H2,1-2H3,(H,25,29)(H,26,27,30)/t16-,20+/s2
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Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132832
PNG
(US8846746, 100)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1Cl |r|
Show InChI InChI=1/C23H23ClN4O2/c1-2-6-15-7-5-8-16(11-15)20-13-21(26-23(30)17-12-22(29)25-14-17)27-28(20)19-10-4-3-9-18(19)24/h3-5,7-11,13,17H,2,6,12,14H2,1H3,(H,25,29)(H,26,27,30)/t17-/s2
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n/an/a 1.90n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395740
PNG
(CHEMBL2164454)
Show SMILES CCOC(=O)C(CCCCCN)CSC(C)=O
Show InChI InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132810
PNG
(US8846746, 77)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@@H]2CNC(=O)C2)nn1-c1cccc(C)c1 |r|
Show InChI InChI=1/C24H26N4O2/c1-3-6-17-8-5-9-18(12-17)21-14-22(26-24(30)19-13-23(29)25-15-19)27-28(21)20-10-4-7-16(2)11-20/h4-5,7-12,14,19H,3,6,13,15H2,1-2H3,(H,25,29)(H,26,27,30)/t19-/s2
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n/an/a 2n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133136
PNG
(US8846746, 454)
Show SMILES CC(C)Oc1cccc(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C27H29F3N4O4/c1-16(2)38-22-9-5-8-21(12-22)34-23(13-24(33-34)32-26(36)20-11-25(35)31-14-20)19-7-4-6-18(10-19)15-37-17(3)27(28,29)30/h4-10,12-13,16-17,20H,11,14-15H2,1-3H3,(H,31,35)(H,32,33,36)/t17-,20+/s2
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n/an/a 2n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133116
PNG
(US8846746, 426)
Show SMILES CC(C)Oc1cc(ccc1F)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C27H28F4N4O4/c1-15(2)39-23-11-20(7-8-21(23)28)35-22(12-24(34-35)33-26(37)19-10-25(36)32-13-19)18-6-4-5-17(9-18)14-38-16(3)27(29,30)31/h4-9,11-12,15-16,19H,10,13-14H2,1-3H3,(H,32,36)(H,33,34,37)/t16-,19+/s2
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n/an/a 2.05n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133142
PNG
(US8846746, 460)
Show SMILES CCOc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(COCC(F)(F)F)c1 |r|
Show InChI InChI=1/C25H24F4N4O4/c1-2-37-18-6-7-19(26)21(10-18)33-20(11-22(32-33)31-24(35)17-9-23(34)30-12-17)16-5-3-4-15(8-16)13-36-14-25(27,28)29/h3-8,10-11,17H,2,9,12-14H2,1H3,(H,30,34)(H,31,32,35)/t17-/s2
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n/an/a 2.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132944
PNG
(US8846746, 227)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(n1)-c1ccccc1C |r|
Show InChI InChI=1/C24H23F3N4O3/c1-14-6-3-4-9-19(14)31-20(16-7-5-8-17(10-16)34-13-24(25,26)27)11-21(30-31)29-23(33)18-12-28-22(32)15(18)2/h3-11,15,18H,12-13H2,1-2H3,(H,28,32)(H,29,30,33)/t15-,18+/s2
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n/an/a 2.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133208
PNG
(US8846746, 533)
Show SMILES COc1cc(F)cc(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C25H24F4N4O4/c1-14(25(27,28)29)37-13-15-4-3-5-16(6-15)21-11-22(31-24(35)17-7-23(34)30-12-17)32-33(21)19-8-18(26)9-20(10-19)36-2/h3-6,8-11,14,17H,7,12-13H2,1-2H3,(H,30,34)(H,31,32,35)/t14-,17+/s2
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n/an/a 2.10n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133200
PNG
(US8846746, 523)
Show SMILES COc1ccc(F)c(c1)-n1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CO[C@H](C)C(F)(F)F)c1 |r|
Show InChI InChI=1/C25H24F4N4O4/c1-14(25(27,28)29)37-13-15-4-3-5-16(8-15)20-11-22(31-24(35)17-9-23(34)30-12-17)32-33(20)21-10-18(36-2)6-7-19(21)26/h3-8,10-11,14,17H,9,12-13H2,1-2H3,(H,30,34)(H,31,32,35)/t14-,17+/s2
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n/an/a 2.15n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM132834
PNG
(US8846746, 102)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1C |r|
Show InChI InChI=1/C24H26N4O2/c1-3-7-17-9-6-10-18(12-17)21-14-22(26-24(30)19-13-23(29)25-15-19)27-28(21)20-11-5-4-8-16(20)2/h4-6,8-12,14,19H,3,7,13,15H2,1-2H3,(H,25,29)(H,26,27,30)/t19-/s2
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n/an/a 2.20n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM133024
PNG
(US8846746, 324)
Show SMILES CCCc1cccc(c1)-c1cc(NC(=O)[C@@H]2CNC(=O)C2)nn1-c1cc(C)ccc1C |r|
Show InChI InChI=1/C25H28N4O2/c1-4-6-18-7-5-8-19(12-18)22-14-23(27-25(31)20-13-24(30)26-15-20)28-29(22)21-11-16(2)9-10-17(21)3/h5,7-12,14,20H,4,6,13,15H2,1-3H3,(H,26,30)(H,27,28,31)/t20-/s2
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n/an/a 2.20n/an/an/an/an/a37



Japan Tobacco Inc.

US Patent


Assay Description
The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Comp...


US Patent US8846746 (2014)


BindingDB Entry DOI: 10.7270/Q27M06MJ
More data for this
Ligand-Target Pair
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