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Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'nomura' and Initial = 's'   
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
Type-2 angiotensin II receptor


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES [H]C12CCC([H])(CC1)N1N2Cc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2C1=O |TLB:38:8:2.3:7.6,THB:10:9:2.3:7.6,(17.17,4.69,;16.48,6.31,;19.3,5.14,;18.9,3.65,;16.08,4.82,;17.54,5.9,;14.57,7.62,;15.91,8.39,;13.41,3.28,;12.64,4.62,;11.04,4.64,;10.22,3.26,;8.67,2.92,;8.5,1.34,;7.17,.57,;5.83,1.34,;4.5,.57,;3.17,1.34,;9.96,.69,;10.27,-.82,;9.13,-1.85,;7.66,-1.37,;6.52,-2.4,;6.84,-3.91,;8.3,-4.38,;9.45,-3.36,;5.69,-4.93,;4.23,-4.46,;3.08,-5.48,;3.4,-6.99,;4.86,-7.47,;6.01,-6.44,;7.47,-6.92,;7.94,-8.38,;9.48,-8.39,;9.96,-6.92,;8.72,-6.02,;11.03,1.87,;12.63,1.88,;13.42,.56,)|
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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1.30n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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1.40n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES [H]C12CCC([H])(CC1)N1N2Cc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2C1=O |TLB:38:8:2.3:7.6,THB:10:9:2.3:7.6,(17.17,4.69,;16.48,6.31,;19.3,5.14,;18.9,3.65,;16.08,4.82,;17.54,5.9,;14.57,7.62,;15.91,8.39,;13.41,3.28,;12.64,4.62,;11.04,4.64,;10.22,3.26,;8.67,2.92,;8.5,1.34,;7.17,.57,;5.83,1.34,;4.5,.57,;3.17,1.34,;9.96,.69,;10.27,-.82,;9.13,-1.85,;7.66,-1.37,;6.52,-2.4,;6.84,-3.91,;8.3,-4.38,;9.45,-3.36,;5.69,-4.93,;4.23,-4.46,;3.08,-5.48,;3.4,-6.99,;4.86,-7.47,;6.01,-6.44,;7.47,-6.92,;7.94,-8.38,;9.48,-8.39,;9.96,-6.92,;8.72,-6.02,;11.03,1.87,;12.63,1.88,;13.42,.56,)|
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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7.70n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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7.90n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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14.1n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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33.8n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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45.7n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES [H]C12CCC([H])(CC1)N1N2Cc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2C1=O |TLB:38:8:2.3:7.6,THB:10:9:2.3:7.6,(17.17,4.69,;16.48,6.31,;19.3,5.14,;18.9,3.65,;16.08,4.82,;17.54,5.9,;14.57,7.62,;15.91,8.39,;13.41,3.28,;12.64,4.62,;11.04,4.64,;10.22,3.26,;8.67,2.92,;8.5,1.34,;7.17,.57,;5.83,1.34,;4.5,.57,;3.17,1.34,;9.96,.69,;10.27,-.82,;9.13,-1.85,;7.66,-1.37,;6.52,-2.4,;6.84,-3.91,;8.3,-4.38,;9.45,-3.36,;5.69,-4.93,;4.23,-4.46,;3.08,-5.48,;3.4,-6.99,;4.86,-7.47,;6.01,-6.44,;7.47,-6.92,;7.94,-8.38,;9.48,-8.39,;9.96,-6.92,;8.72,-6.02,;11.03,1.87,;12.63,1.88,;13.42,.56,)|
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438462
PNG
(CHEMBL2414623)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(s2)-c2cccnc2)c1 |r|
Show InChI InChI=1S/C22H22ClNO5S/c23-16-5-3-12(22-21(28)20(27)19(26)17(11-25)29-22)8-14(16)9-15-4-6-18(30-15)13-2-1-7-24-10-13/h1-8,10,17,19-22,25-28H,9,11H2/t17-,19-,20+,21-,22+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438467
PNG
(CHEMBL2414618)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1cccnc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H25NO5S/c1-13-4-5-14(23-22(28)21(27)20(26)18(12-25)29-23)9-16(13)10-17-6-7-19(30-17)15-3-2-8-24-11-15/h2-9,11,18,20-23,25-28H,10,12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446188
PNG
(CHEMBL3109017)
Show SMILES CCc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(C)c23)cc1 |r|
Show InChI InChI=1S/C24H29NO5/c1-3-15-7-9-16(10-8-15)11-17-12-25(18-6-4-5-14(2)20(17)18)24-23(29)22(28)21(27)19(13-26)30-24/h4-10,12,19,21-24,26-29H,3,11,13H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50346265
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4-fluo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438463
PNG
(CHEMBL2414622)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(s2)-n2cccn2)c1 |r|
Show InChI InChI=1S/C20H21ClN2O5S/c21-14-4-2-11(20-19(27)18(26)17(25)15(10-24)28-20)8-12(14)9-13-3-5-16(29-13)23-7-1-6-22-23/h1-8,15,17-20,24-27H,9-10H2/t15-,17-,18+,19-,20+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446186
PNG
(CHEMBL3109016)
Show SMILES Cc1cccc2n(cc(Cc3ccc(cc3)C3CC3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H29NO5/c1-14-3-2-4-19-21(14)18(11-15-5-7-16(8-6-15)17-9-10-17)12-26(19)25-24(30)23(29)22(28)20(13-27)31-25/h2-8,12,17,20,22-25,27-30H,9-11,13H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438465
PNG
(CHEMBL2414620)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ncccn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H24N2O5S/c1-12-3-4-13(21-20(28)19(27)18(26)16(11-25)29-21)9-14(12)10-15-5-6-17(30-15)22-23-7-2-8-24-22/h2-9,16,18-21,25-28H,10-11H2,1H3/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438460
PNG
(CHEMBL2414617)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(s2)-c2ccc(F)nc2)c1 |r|
Show InChI InChI=1S/C22H21ClFNO5S/c23-15-4-1-11(22-21(29)20(28)19(27)16(10-26)30-22)7-13(15)8-14-3-5-17(31-14)12-2-6-18(24)25-9-12/h1-7,9,16,19-22,26-29H,8,10H2/t16-,19-,20+,21-,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446185
PNG
(CHEMBL3109015)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2ccccc12 |r|
Show InChI InChI=1S/C24H27NO5/c26-13-20-21(27)22(28)23(29)24(30-20)25-12-17(18-3-1-2-4-19(18)25)11-14-5-7-15(8-6-14)16-9-10-16/h1-8,12,16,20-24,26-29H,9-11,13H2/t20-,21-,22+,23-,24-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50386885
PNG
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326284
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(s1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FO6S/c1-13-3-2-4-18(30-24-23(29)22(28)21(27)19(12-26)31-24)17(13)11-16-9-10-20(32-16)14-5-7-15(25)8-6-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326280
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(5-chloro-2-t...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2ccc(Cl)s2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H18Cl2O6S/c18-10-2-1-3-11(9(10)6-8-4-5-13(19)26-8)24-17-16(23)15(22)14(21)12(7-20)25-17/h1-5,12,14-17,20-23H,6-7H2/t12-,14-,15+,16-,17-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438464
PNG
(CHEMBL2414621)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1cncs1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H23NO5S2/c1-11-2-3-12(21-20(26)19(25)18(24)15(9-23)27-21)6-13(11)7-14-4-5-16(29-14)17-8-22-10-28-17/h2-6,8,10,15,18-21,23-26H,7,9H2,1H3/t15-,18-,19+,20-,21+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50441088
PNG
(CHEMBL2430315)
Show SMILES CCc1ccc(Cc2ccccc2N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H27NO5/c1-2-13-7-9-14(10-8-13)11-15-5-3-4-6-16(15)22-21-20(26)19(25)18(24)17(12-23)27-21/h3-10,17-26H,2,11-12H2,1H3/t17-,18-,19+,20-,21-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after...


Bioorg Med Chem Lett 23: 5641-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.042
BindingDB Entry DOI: 10.7270/Q2TX3GSM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446190
PNG
(CHEMBL3109019)
Show SMILES CCOc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(F)c23)cc1 |r|
Show InChI InChI=1S/C23H26FNO6/c1-2-30-15-8-6-13(7-9-15)10-14-11-25(17-5-3-4-16(24)19(14)17)23-22(29)21(28)20(27)18(12-26)31-23/h3-9,11,18,20-23,26-29H,2,10,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381537
PNG
(CHEMBL2017954)
Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5/c1-2-13-6-8-14(9-7-13)10-15-4-3-5-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after...


Bioorg Med Chem Lett 23: 5641-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.042
BindingDB Entry DOI: 10.7270/Q2TX3GSM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446187
PNG
(CHEMBL3109020)
Show SMILES CCc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(F)c23)cc1 |r|
Show InChI InChI=1S/C23H26FNO5/c1-2-13-6-8-14(9-7-13)10-15-11-25(17-5-3-4-16(24)19(15)17)23-22(29)21(28)20(27)18(12-26)30-23/h3-9,11,18,20-23,26-29H,2,10,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50441082
PNG
(CHEMBL2430319)
Show SMILES CCc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H27NO5/c1-2-14-7-9-15(10-8-14)11-16-12-24(18-6-4-3-5-17(16)18)23-22(28)21(27)20(26)19(13-25)29-23/h3-10,12,19-23,25-28H,2,11,13H2,1H3/t19-,20-,21+,22-,23-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after...


Bioorg Med Chem Lett 23: 5641-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.042
BindingDB Entry DOI: 10.7270/Q2TX3GSM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50441082
PNG
(CHEMBL2430319)
Show SMILES CCc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H27NO5/c1-2-14-7-9-15(10-8-14)11-16-12-24(18-6-4-3-5-17(16)18)23-22(28)21(27)20(26)19(13-25)29-23/h3-10,12,19-23,25-28H,2,11,13H2,1H3/t19-,20-,21+,22-,23-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50438466
PNG
(CHEMBL2414619)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1cncnc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H24N2O5S/c1-12-2-3-13(22-21(28)20(27)19(26)17(10-25)29-22)6-14(12)7-16-4-5-18(30-16)15-8-23-11-24-9-15/h2-6,8-9,11,17,19-22,25-28H,7,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...


Bioorg Med Chem 21: 5561-72 (2013)


Article DOI: 10.1016/j.bmc.2013.05.048
BindingDB Entry DOI: 10.7270/Q2RX9DHV
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326283
PNG
(1-(beta-D-Glucopyranosyl)-4-methyl-3-(5-(4-fluorop...)
Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ncc(s1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FNO6S/c1-12-3-2-4-16(30-23-22(29)21(28)20(27)17(11-26)31-23)15(12)9-19-25-10-18(32-19)13-5-7-14(24)8-6-13/h2-8,10,17,20-23,26-29H,9,11H2,1H3/t17-,20-,21+,22-,23-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446184
PNG
(CHEMBL3109014)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H29NO5/c27-14-21-22(28)23(29)24(30)25(31-21)26-13-18(19-6-1-2-7-20(19)26)12-15-8-10-17(11-9-15)16-4-3-5-16/h1-2,6-11,13,16,21-25,27-30H,3-5,12,14H2/t21-,22-,23+,24-,25-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326279
PNG
(1-(beta-D-Glucopyranosyl)-3-(5-ethyl-2-thienylmeth...)
Show SMILES CCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C19H24O6S/c1-2-12-7-8-13(26-12)9-11-5-3-4-6-14(11)24-19-18(23)17(22)16(21)15(10-20)25-19/h3-8,15-23H,2,9-10H2,1H3/t15-,16-,17+,18-,19-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446189
PNG
(CHEMBL3109018)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(Cl)cc2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C21H21ClFNO5/c22-13-6-4-11(5-7-13)8-12-9-24(15-3-1-2-14(23)17(12)15)21-20(28)19(27)18(26)16(10-25)29-21/h1-7,9,16,18-21,25-28H,8,10H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50446186
PNG
(CHEMBL3109016)
Show SMILES Cc1cccc2n(cc(Cc3ccc(cc3)C3CC3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H29NO5/c1-14-3-2-4-19-21(14)18(11-15-5-7-16(8-6-15)17-9-10-17)12-26(19)25-24(30)23(29)22(28)20(13-27)31-25/h2-8,12,17,20,22-25,27-30H,9-11,13H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446182
PNG
(CHEMBL3109012)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCCC2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C26H30FNO5/c27-19-6-3-7-20-22(19)18(12-15-8-10-17(11-9-15)16-4-1-2-5-16)13-28(20)26-25(32)24(31)23(30)21(14-29)33-26/h3,6-11,13,16,21,23-26,29-32H,1-2,4-5,12,14H2/t21-,23-,24+,25-,26-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326282
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(2-ethyl-5-py...)
Show SMILES CCc1ccc(Cc2c(Cl)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1 |r|
Show InChI InChI=1S/C20H24ClNO6/c1-2-12-7-6-11(9-22-12)8-13-14(21)4-3-5-15(13)27-20-19(26)18(25)17(24)16(10-23)28-20/h3-7,9,16-20,23-26H,2,8,10H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50326281
PNG
(1-(beta-D-Glucopyranosyl)-4-chloro-3-(1-phenyl-1H-...)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2cnn(c2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H23ClN2O6/c23-16-7-4-8-17(30-22-21(29)20(28)19(27)18(12-26)31-22)15(16)9-13-10-24-25(11-13)14-5-2-1-3-6-14/h1-8,10-11,18-22,26-29H,9,12H2/t18-,19-,20+,21-,22-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50441083
PNG
(CHEMBL2430321)
Show SMILES CCc1ccc(Cc2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C22H26N2O5/c1-2-13-7-9-14(10-8-13)11-16-15-5-3-4-6-17(15)24(23-16)22-21(28)20(27)19(26)18(12-25)29-22/h3-10,18-22,25-28H,2,11-12H2,1H3/t18-,19-,20+,21-,22-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after...


Bioorg Med Chem Lett 23: 5641-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.042
BindingDB Entry DOI: 10.7270/Q2TX3GSM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50446183
PNG
(CHEMBL3109013)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCCC2)c2ccccc12 |r|
Show InChI InChI=1S/C26H31NO5/c28-15-22-23(29)24(30)25(31)26(32-22)27-14-19(20-7-3-4-8-21(20)27)13-16-9-11-18(12-10-16)17-5-1-2-6-17/h3-4,7-12,14,17,22-26,28-31H,1-2,5-6,13,15H2/t22-,23-,24+,25-,26-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50404562
PNG
(CHEMBL353809)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Oc3ccccc3Oc2c1
Show InChI InChI=1S/C25H33N5O5S/c1-2-17-11-14-30(15-12-17)24(31)19(6-5-13-28-25(26)27)29-36(32,33)18-9-10-22-23(16-18)35-21-8-4-3-7-20(21)34-22/h3-4,7-10,16-17,19,29H,2,5-6,11-15H2,1H3,(H4,26,27,28)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50441086
PNG
(CHEMBL2430317)
Show SMILES CCc1ccc(Cc2ccc(=O)n(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H25NO6/c1-2-12-3-5-13(6-4-12)9-14-7-8-16(23)21(10-14)20-19(26)18(25)17(24)15(11-22)27-20/h3-8,10,15,17-20,22,24-26H,2,9,11H2,1H3/t15-,17-,18+,19-,20-/m1/s1
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n/an/a 163n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after...


Bioorg Med Chem Lett 23: 5641-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.042
BindingDB Entry DOI: 10.7270/Q2TX3GSM
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50404544
PNG
(CHEMBL355327)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c3ccccc3oc12
Show InChI InChI=1S/C25H33N5O4S/c1-2-17-12-15-30(16-13-17)24(31)20(9-6-14-28-25(26)27)29-35(32,33)22-11-5-8-19-18-7-3-4-10-21(18)34-23(19)22/h3-5,7-8,10-11,17,20,29H,2,6,9,12-16H2,1H3,(H4,26,27,28)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50446187
PNG
(CHEMBL3109020)
Show SMILES CCc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(F)c23)cc1 |r|
Show InChI InChI=1S/C23H26FNO5/c1-2-13-6-8-14(9-7-13)10-15-11-25(17-5-3-4-16(24)19(15)17)23-22(29)21(28)20(27)18(12-26)30-23/h3-9,11,18,20-23,26-29H,2,10,12H2,1H3/t18-,20-,21+,22-,23-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50346265
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4-fluo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 12...


ACS Med Chem Lett 5: 51-5 (2014)


Article DOI: 10.1021/ml400339b
BindingDB Entry DOI: 10.7270/Q24J0GM7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scint...


J Med Chem 53: 6355-60 (2010)


Article DOI: 10.1021/jm100332n
BindingDB Entry DOI: 10.7270/Q2V69JSS
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50404563
PNG
(CHEMBL352975)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Oc3ccccc3Cc2c1
Show InChI InChI=1S/C26H35N5O4S/c1-2-18-11-14-31(15-12-18)25(32)22(7-5-13-29-26(27)28)30-36(33,34)21-9-10-24-20(17-21)16-19-6-3-4-8-23(19)35-24/h3-4,6,8-10,17-18,22,30H,2,5,7,11-16H2,1H3,(H4,27,28,29)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50404567
PNG
(CHEMBL168621)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2c(c1)oc1ccccc21
Show InChI InChI=1S/C25H33N5O4S/c1-2-17-11-14-30(15-12-17)24(31)21(7-5-13-28-25(26)27)29-35(32,33)18-9-10-20-19-6-3-4-8-22(19)34-23(20)16-18/h3-4,6,8-10,16-17,21,29H,2,5,7,11-15H2,1H3,(H4,26,27,28)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
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