Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'betson' and Initial = 'ms'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265139 ((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethylbenzyl)phen...) Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25ClO5/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265176 ((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)ph...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O)cc2)c1 |r| Show InChI InChI=1S/C19H21ClO6/c20-14-6-3-11(8-12(14)7-10-1-4-13(22)5-2-10)19-18(25)17(24)16(23)15(9-21)26-19/h1-6,8,15-19,21-25H,7,9H2/t15-,16-,17+,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265178 (CHEMBL521565 | N-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-...) Show SMILES CN(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30ClNO6/c1-30(28(35)19-5-3-2-4-6-19)15-18-9-7-17(8-10-18)13-21-14-20(11-12-22(21)29)27-26(34)25(33)24(32)23(16-31)36-27/h2-12,14,23-27,31-34H,13,15-16H2,1H3/t23-,24-,25+,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265236 (5-(4-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihy...) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCc3ccc(COc4ccc(Cc5cc(ccc5Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)cc3)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:41.43,46.48,39.40,wD:48.51,44.46,(23.59,-7.41,;22.26,-6.62,;20.91,-7.39,;22.27,-5.08,;20.94,-4.3,;20.96,-2.77,;22.29,-2.02,;22.3,-.48,;20.98,.3,;19.63,-.46,;18.3,.32,;18.32,1.86,;19.65,2.62,;20.98,1.85,;21.74,3.19,;20.96,4.52,;23.28,3.2,;16.99,2.64,;17.01,4.18,;15.65,1.88,;14.32,2.66,;12.98,1.9,;12.96,.36,;11.63,-.4,;10.3,.39,;8.96,-.37,;7.63,.41,;6.29,-.35,;6.27,-1.88,;4.94,-2.63,;3.63,-1.85,;2.3,-2.61,;.95,-1.84,;-.39,-2.6,;-1.73,-1.84,;-1.73,-.3,;-.38,.48,;.95,-.3,;2.29,.47,;-3.06,-2.6,;-4.4,-1.82,;-5.73,-2.6,;-7.07,-1.84,;-8.4,-2.61,;-5.73,-4.15,;-7.06,-4.92,;-4.4,-4.91,;-4.4,-6.45,;-3.06,-4.15,;-1.73,-4.92,;3.64,-.33,;4.96,.42,;10.31,1.92,;11.65,2.68,;23.64,.28,;23.65,1.83,;24.99,2.59,;26.32,1.8,;26.31,.25,;24.97,-.5,;24.96,-2.05,;23.61,-2.81,;23.6,-4.33,;27.67,2.55,;27.69,4.09,;29,1.76,)| Show InChI InChI=1S/C52H50ClN3O10/c1-55(2)35-13-18-39-43(24-35)65-44-25-36(56(3)4)14-19-40(44)46(39)38-17-11-33(23-41(38)52(62)63)51(61)54-26-30-5-7-31(8-6-30)28-64-37-15-9-29(10-16-37)21-34-22-32(12-20-42(34)53)50-49(60)48(59)47(58)45(27-57)66-50/h5-20,22-25,45,47-50,57-60H,21,26-28H2,1-4H3,(H-,54,61,62,63)/t45-,47-,48+,49-,50+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265239 (3-(3-((4-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-t...) Show SMILES CN(Cc1ccc(COc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:47,49,t:44| Show InChI InChI=1S/C42H45BClF2N3O7/c1-25-18-26(2)48-36(25)21-33-12-11-32(49(33)43(48,45)46)13-17-38(51)47(3)22-28-4-6-29(7-5-28)24-55-34-14-8-27(9-15-34)19-31-20-30(10-16-35(31)44)42-41(54)40(53)39(52)37(23-50)56-42/h4-12,14-16,18,20-21,37,39-42,50,52-54H,13,17,19,22-24H2,1-3H3/t37-,39-,40+,41-,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265235 (24-[({6-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc12 |r,c:3,5,10| Show InChI InChI=1S/C56H64ClN3O11S/c1-55(2)40-26-33(11-17-43(40)59-22-19-45-38(53(55)59)30-39-46(70-45)20-23-60-44-18-15-37(72(66,67)68)29-41(44)56(3,4)54(39)60)27-48(62)58-21-7-5-6-8-24-69-36-13-9-32(10-14-36)25-35-28-34(12-16-42(35)57)52-51(65)50(64)49(63)47(31-61)71-52/h9-18,26,28-30,45-47,49-52,61,63-65H,5-8,19-25,27,31H2,1-4H3,(H-,58,62,66,67,68)/t45?,46?,47-,49-,50+,51-,52+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265233 (24-[({4-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4=C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |r,c:50,53,56| Show InChI InChI=1S/C55H62ClN3O11S/c1-54(2)39-25-32(10-16-42(39)58-21-18-44-37(52(54)58)29-38-45(69-44)19-22-59-43-17-14-36(71(65,66)67)28-40(43)55(3,4)53(38)59)26-47(61)57(5)20-6-7-23-68-35-12-8-31(9-13-35)24-34-27-33(11-15-41(34)56)51-50(64)49(63)48(62)46(30-60)70-51/h8-17,25,27-29,44-46,48-51,60,62-64H,6-7,18-24,26,30H2,1-5H3/t44?,45?,46-,48-,49+,50-,51+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265238 (3-(3-(4-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCc3ccc(COc4ccc(Cc5cc(ccc5Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)cc3)=[N+]1[B-]2(F)F |r,c:10,55,t:8| Show InChI InChI=1S/C41H43BClF2N3O7/c1-24-17-25(2)47-35(24)20-32-11-10-31(48(32)42(47,44)45)12-16-37(50)46-21-27-3-5-28(6-4-27)23-54-33-13-7-26(8-14-33)18-30-19-29(9-15-34(30)43)41-40(53)39(52)38(51)36(22-49)55-41/h3-11,13-15,17,19-20,36,38-41,49,51-53H,12,16,18,21-23H2,1-2H3,(H,46,50)/t36-,38-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265234 (24-[({4-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CCN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4=C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |r,c:51,54,57| Show InChI InChI=1S/C56H64ClN3O11S/c1-6-58(21-7-8-24-69-36-13-9-32(10-14-36)25-35-28-34(12-16-42(35)57)52-51(65)50(64)49(63)47(31-61)71-52)48(62)27-33-11-17-43-40(26-33)55(2,3)53-38-30-39-46(70-45(38)19-22-59(43)53)20-23-60-44-18-15-37(72(66,67)68)29-41(44)56(4,5)54(39)60/h9-18,26,28-30,45-47,49-52,61,63-65H,6-8,19-25,27,31H2,1-5H3/t45?,46?,47-,49-,50+,51-,52+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265232 (24-[({4-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc12 |r,c:3,5,10| Show InChI InChI=1S/C54H60ClN3O11S/c1-53(2)38-24-31(9-15-41(38)57-20-17-43-36(51(53)57)28-37-44(68-43)18-21-58-42-16-13-35(70(64,65)66)27-39(42)54(3,4)52(37)58)25-46(60)56-19-5-6-22-67-34-11-7-30(8-12-34)23-33-26-32(10-14-40(33)55)50-49(63)48(62)47(61)45(29-59)69-50/h7-16,24,26-28,43-45,47-50,59,61-63H,5-6,17-23,25,29H2,1-4H3,(H-,56,60,64,65,66)/t43?,44?,45-,47-,48+,49-,50+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265230 (3-(3-(6-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tri...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)=[N+]1[B-]2(F)F |r,c:10,52,t:8| Show InChI InChI=1S/C39H47BClF2N3O7/c1-24-19-25(2)45-33(24)22-30-11-10-29(46(30)40(45,42)43)12-16-35(48)44-17-5-3-4-6-18-52-31-13-7-26(8-14-31)20-28-21-27(9-15-32(28)41)39-38(51)37(50)36(49)34(23-47)53-39/h7-11,13-15,19,21-22,34,36-39,47,49-51H,3-6,12,16-18,20,23H2,1-2H3,(H,44,48)/t34-,36-,37+,38-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265237 (5-((4-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trih...) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)N(C)Cc3ccc(COc4ccc(Cc5cc(ccc5Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)cc3)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:42.44,47.49,40.41,wD:49.52,45.47,(25.14,-20.39,;23.81,-19.61,;22.47,-20.37,;23.82,-18.06,;22.49,-17.28,;22.51,-15.75,;23.84,-15,;23.85,-13.46,;22.53,-12.68,;21.18,-13.45,;19.85,-12.66,;19.87,-11.12,;21.21,-10.36,;22.53,-11.13,;23.29,-9.79,;22.51,-8.46,;24.83,-9.78,;18.54,-10.34,;18.56,-8.8,;17.2,-11.1,;17.19,-12.65,;15.87,-10.32,;14.53,-11.08,;14.51,-12.62,;13.18,-13.38,;11.85,-12.59,;10.51,-13.35,;9.18,-12.57,;7.84,-13.34,;7.82,-14.86,;6.49,-15.61,;5.18,-14.83,;3.85,-15.59,;2.5,-14.82,;1.16,-15.58,;-.18,-14.82,;-.18,-13.28,;1.17,-12.5,;2.5,-13.28,;3.84,-12.51,;-1.51,-15.58,;-2.84,-14.81,;-4.18,-15.58,;-5.51,-14.82,;-6.85,-15.59,;-4.18,-17.13,;-5.51,-17.9,;-2.84,-17.89,;-2.84,-19.43,;-1.51,-17.13,;-.18,-17.9,;5.19,-13.31,;6.51,-12.56,;11.86,-11.06,;13.2,-10.3,;25.19,-12.7,;25.2,-11.16,;26.54,-10.39,;27.87,-11.19,;27.86,-12.73,;26.52,-13.49,;26.51,-15.03,;25.16,-15.79,;25.15,-17.31,;29.22,-10.43,;29.24,-8.89,;30.55,-11.22,)| Show InChI InChI=1S/C53H52ClN3O10/c1-55(2)36-14-19-40-44(25-36)66-45-26-37(56(3)4)15-20-41(45)47(40)39-18-12-34(24-42(39)53(63)64)52(62)57(5)27-31-6-8-32(9-7-31)29-65-38-16-10-30(11-17-38)22-35-23-33(13-21-43(35)54)51-50(61)49(60)48(59)46(28-58)67-51/h6-21,23-26,46,48-51,58-61H,22,27-29H2,1-5H3/t46-,48-,49+,50-,51+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265226 (3-(3-((4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:42,44,t:39| Show InChI InChI=1S/C38H45BClF2N3O7/c1-23-18-24(2)44-32(23)21-29-10-9-28(45(29)39(44,41)42)11-15-34(47)43(3)16-4-5-17-51-30-12-6-25(7-13-30)19-27-20-26(8-14-31(27)40)38-37(50)36(49)35(48)33(22-46)52-38/h6-10,12-14,18,20-21,33,35-38,46,48-50H,4-5,11,15-17,19,22H2,1-3H3/t33-,35-,36+,37-,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265223 (3-(3-(3-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tri...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)=[N+]1[B-]2(F)F |r,c:10,49,t:8| Show InChI InChI=1S/C36H41BClF2N3O7/c1-21-16-22(2)42-30(21)19-27-8-7-26(43(27)37(42,39)40)9-13-32(45)41-14-3-15-49-28-10-4-23(5-11-28)17-25-18-24(6-12-29(25)38)36-35(48)34(47)33(46)31(20-44)50-36/h4-8,10-12,16,18-19,31,33-36,44,46-48H,3,9,13-15,17,20H2,1-2H3,(H,41,45)/t31-,33-,34+,35-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265231 (3-(3-(8-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tri...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)=[N+]1[B-]2(F)F |r,c:10,54,t:8| Show InChI InChI=1S/C41H51BClF2N3O7/c1-26-21-27(2)47-35(26)24-32-13-12-31(48(32)42(47,44)45)14-18-37(50)46-19-7-5-3-4-6-8-20-54-33-15-9-28(10-16-33)22-30-23-29(11-17-34(30)43)41-40(53)39(52)38(51)36(25-49)55-41/h9-13,15-17,21,23-24,36,38-41,49,51-53H,3-8,14,18-20,22,25H2,1-2H3,(H,46,50)/t36-,38-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265225 (3-(3-(4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tri...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)=[N+]1[B-]2(F)F |r,c:10,50,t:8| Show InChI InChI=1S/C37H43BClF2N3O7/c1-22-17-23(2)43-31(22)20-28-9-8-27(44(28)38(43,40)41)10-14-33(46)42-15-3-4-16-50-29-11-5-24(6-12-29)18-26-19-25(7-13-30(26)39)37-36(49)35(48)34(47)32(21-45)51-37/h5-9,11-13,17,19-20,32,34-37,45,47-49H,3-4,10,14-16,18,21H2,1-2H3,(H,42,46)/t32-,34-,35+,36-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265218 ((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-((methyl(7-nitro...) Show SMILES CN(Cc1ccc(Cc2cc(ccc2Cl)C2OC(CO)C(O)C(O)C2O)cc1)c1ccc([N+]([O-])=O)c2[n-][o+]nc12 Show InChI InChI=1S/C27H27ClN4O8/c1-31(19-8-9-20(32(37)38)23-22(19)29-40-30-23)12-15-4-2-14(3-5-15)10-17-11-16(6-7-18(17)28)27-26(36)25(35)24(34)21(13-33)39-27/h2-9,11,21,24-27,33-36H,10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265222 (3-(3-((2-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CN(CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:40,42,t:37| Show InChI InChI=1S/C36H41BClF2N3O7/c1-21-16-22(2)42-30(21)19-27-8-7-26(43(27)37(42,39)40)9-13-32(45)41(3)14-15-49-28-10-4-23(5-11-28)17-25-18-24(6-12-29(25)38)36-35(48)34(47)33(46)31(20-44)50-36/h4-8,10-12,16,18-19,31,33-36,44,46-48H,9,13-15,17,20H2,1-3H3/t31-,33-,34+,35-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	315	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265180 (5-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydro...) Show SMILES CN(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:17.18,22.23,15.15,wD:24.26,20.21,(17.01,-50.45,;17.03,-48.91,;15.7,-48.12,;14.36,-48.88,;14.34,-50.41,;13.01,-51.16,;11.7,-50.38,;10.37,-51.14,;9.02,-50.37,;7.68,-51.13,;6.35,-50.36,;6.35,-48.83,;7.69,-48.05,;9.03,-48.83,;10.36,-48.06,;5.01,-51.13,;3.68,-50.35,;2.35,-51.13,;1.01,-50.36,;-.32,-51.14,;2.35,-52.67,;1.02,-53.45,;3.68,-53.44,;3.68,-54.98,;5.01,-52.67,;6.35,-53.45,;11.71,-48.86,;13.03,-48.11,;18.37,-48.15,;18.38,-46.6,;19.7,-48.93,;19.68,-50.46,;21.01,-51.25,;22.35,-50.49,;22.36,-48.94,;21.03,-48.16,;23.11,-47.6,;22.33,-46.27,;24.65,-47.58,;23.67,-51.26,;23.67,-52.8,;22.33,-53.55,;22.32,-55.08,;23.64,-55.86,;23.63,-57.4,;24.97,-55.11,;24.98,-53.59,;26.33,-52.83,;26.34,-51.29,;27.68,-50.53,;27.69,-48.99,;29.04,-48.23,;26.36,-48.2,;25.02,-48.96,;25.01,-50.5,)| Show InChI InChI=1S/C42H36ClNO11/c1-44(19-22-4-2-21(3-5-22)14-25-15-23(7-13-32(25)43)40-39(50)38(49)37(48)35(20-45)55-40)41(51)24-6-10-28(31(16-24)42(52)53)36-29-11-8-26(46)17-33(29)54-34-18-27(47)9-12-30(34)36/h2-13,15-18,35,37-40,45-46,48-50H,14,19-20H2,1H3,(H,52,53)/t35-,37-,38+,39-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265220 (5-(5-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihyd...) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)CCCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:38.40,43.45,36.37,wD:45.48,41.43,(22.66,-6.41,;21.33,-7.19,;19.99,-6.43,;21.34,-8.73,;20.01,-9.51,;20.03,-11.04,;21.36,-11.79,;21.37,-13.33,;20.05,-14.11,;18.7,-13.35,;17.38,-14.13,;17.4,-15.66,;18.73,-16.43,;20.05,-15.66,;20.81,-17,;20.03,-18.32,;22.35,-17.01,;16.07,-16.45,;16.08,-17.99,;14.74,-15.66,;13.39,-16.42,;12.07,-15.64,;10.72,-16.4,;9.4,-15.62,;8.05,-16.38,;8.04,-17.9,;6.71,-18.65,;5.4,-17.87,;4.07,-18.63,;2.72,-17.86,;1.38,-18.62,;.05,-17.86,;.05,-16.32,;1.39,-15.54,;2.72,-16.32,;4.06,-15.55,;-1.29,-18.62,;-2.62,-17.84,;-3.95,-18.62,;-5.28,-17.86,;-6.62,-18.63,;-3.95,-20.16,;-5.28,-20.94,;-2.62,-20.93,;-2.62,-22.47,;-1.29,-20.16,;.05,-20.94,;5.41,-16.35,;6.73,-15.6,;22.71,-14.09,;22.72,-15.63,;24.06,-16.39,;25.39,-15.6,;25.37,-14.06,;24.03,-13.31,;24.02,-11.76,;22.68,-11.01,;22.66,-9.48,;26.73,-16.36,;26.75,-17.9,;28.06,-15.57,)| Show InChI InChI=1S/C48H49ClN2O10/c1-50(2)31-12-17-35-40(24-31)60-41-25-32(51(3)4)13-18-36(41)43(35)34-16-10-28(23-37(34)48(57)58)39(53)7-5-6-20-59-33-14-8-27(9-15-33)21-30-22-29(11-19-38(30)49)47-46(56)45(55)44(54)42(26-52)61-47/h8-19,22-25,42,44-47,52,54-56H,5-7,20-21,26H2,1-4H3/t42-,44-,45+,46-,47+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265221 (3-(3-(2-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tri...) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCOc3ccc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)=[N+]1[B-]2(F)F |r,c:10,48,t:8| Show InChI InChI=1S/C35H39BClF2N3O7/c1-20-15-21(2)41-29(20)18-26-7-6-25(42(26)36(41,38)39)8-12-31(44)40-13-14-48-27-9-3-22(4-10-27)16-24-17-23(5-11-28(24)37)35-34(47)33(46)32(45)30(19-43)49-35/h3-7,9-11,15,17-18,30,32-35,43,45-47H,8,12-14,16,19H2,1-2H3,(H,40,44)/t30-,32-,33+,34-,35+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265224 (3-(3-((3-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CN(CCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:41,43,t:38| Show InChI InChI=1S/C37H43BClF2N3O7/c1-22-17-23(2)43-31(22)20-28-9-8-27(44(28)38(43,40)41)10-14-33(46)42(3)15-4-16-50-29-11-5-24(6-12-29)18-26-19-25(7-13-30(26)39)37-36(49)35(48)34(47)32(21-45)51-37/h5-9,11-13,17,19-20,32,34-37,45,47-49H,4,10,14-16,18,21H2,1-3H3/t32-,34-,35+,36-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265177 (CHEMBL496518 | N-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(CNC(=O)c3ccccc3)cc2)c1 |r| Show InChI InChI=1S/C27H28ClNO6/c28-21-11-10-19(26-25(33)24(32)23(31)22(15-30)35-26)13-20(21)12-16-6-8-17(9-7-16)14-29-27(34)18-4-2-1-3-5-18/h1-11,13,22-26,30-33H,12,14-15H2,(H,29,34)/t22-,23-,24+,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20875 (1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265219 (5-(5-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCCC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c1 |r,wU:2.1,7.7,4.11,wD:5.5,9.10,(-7.73,-4.49,;-6.4,-3.72,;-5.06,-4.48,;-3.73,-3.71,;-2.4,-4.48,;-2.4,-6.03,;-1.07,-6.8,;-3.73,-6.79,;-3.73,-8.33,;-5.06,-6.03,;-6.39,-6.8,;-1.06,-3.72,;-1.06,-2.18,;.28,-1.4,;1.61,-2.18,;2.95,-1.41,;1.61,-3.72,;2.95,-4.49,;4.29,-3.73,;5.6,-4.51,;6.93,-3.76,;6.94,-2.24,;8.28,-1.48,;9.61,-2.26,;10.95,-1.5,;12.28,-2.28,;13.62,-1.52,;14.95,-2.31,;14.97,-3.85,;16.28,-1.53,;16.26,.01,;17.59,.79,;18.93,.03,;18.94,-1.52,;17.61,-2.29,;19.7,-2.86,;18.91,-4.18,;21.24,-2.87,;20.26,.81,;20.25,2.35,;18.92,3.1,;18.9,4.63,;20.22,5.41,;20.21,6.95,;21.55,4.65,;21.56,3.13,;22.91,2.38,;22.92,.83,;24.26,.08,;24.28,-1.46,;25.62,-2.22,;22.95,-2.26,;21.61,-1.5,;21.59,.05,;5.62,-1.46,;4.3,-2.22,;.27,-4.48,)| Show InChI InChI=1S/C44H39ClO12/c45-34-15-7-25(43-42(52)41(51)40(50)38(22-46)57-43)18-26(34)17-23-4-10-29(11-5-23)55-16-2-1-3-35(49)24-6-12-30(33(19-24)44(53)54)39-31-13-8-27(47)20-36(31)56-37-21-28(48)9-14-32(37)39/h4-15,18-21,38,40-43,46-47,50-52H,1-3,16-17,22H2,(H,53,54)/t38-,40-,41+,42-,43+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	835	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265227 (3-(3-((4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CCCN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:44,46,t:41| Show InChI InChI=1S/C40H49BClF2N3O7/c1-4-17-45(36(49)16-12-30-10-11-31-23-34-25(2)20-26(3)46(34)41(43,44)47(30)31)18-5-6-19-53-32-13-7-27(8-14-32)21-29-22-28(9-15-33(29)42)40-39(52)38(51)37(50)35(24-48)54-40/h7-11,13-15,20,22-23,35,37-40,48,50-52H,4-6,12,16-19,21,24H2,1-3H3/t35-,37-,38+,39-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265228 (3-(3-((4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CC(C)N(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:44,46,t:41| Show InChI InChI=1S/C40H49BClF2N3O7/c1-24(2)45(36(49)16-12-30-10-11-31-22-34-25(3)19-26(4)46(34)41(43,44)47(30)31)17-5-6-18-53-32-13-7-27(8-14-32)20-29-21-28(9-15-33(29)42)40-39(52)38(51)37(50)35(23-48)54-40/h7-11,13-15,19,21-22,24,35,37-40,48,50-52H,5-6,12,16-18,20,23H2,1-4H3/t35-,37-,38+,39-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265229 (3-(3-((4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...) Show SMILES CC(C)CN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:45,47,t:42| Show InChI InChI=1S/C41H51BClF2N3O7/c1-25(2)23-46(37(50)16-12-31-10-11-32-22-35-26(3)19-27(4)47(35)42(44,45)48(31)32)17-5-6-18-54-33-13-7-28(8-14-33)20-30-21-29(9-15-34(30)43)41-40(53)39(52)38(51)36(24-49)55-41/h7-11,13-15,19,21-22,25,36,38-41,49,51-53H,5-6,12,16-18,20,23-24H2,1-4H3/t36-,38-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265183 ((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-((7-nitrobenzo[c...) Show SMILES OCC1OC(C(O)C(O)C1O)c1ccc(Cl)c(Cc2ccc(CNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)cc2)c1 Show InChI InChI=1S/C26H25ClN4O8/c27-17-6-5-15(26-25(35)24(34)23(33)20(12-32)38-26)10-16(17)9-13-1-3-14(4-2-13)11-28-18-7-8-19(31(36)37)22-21(18)29-39-30-22/h1-8,10,20,23-26,28,32-35H,9,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265181 (5-(6-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(CNC(=O)CCCCCNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c1 |r,wU:2.1,7.7,4.11,wD:5.5,9.10,(-7.83,-4.06,;-6.5,-3.28,;-5.16,-4.05,;-3.83,-3.27,;-2.5,-4.05,;-2.5,-5.59,;-1.17,-6.36,;-3.83,-6.35,;-3.83,-7.89,;-5.16,-5.59,;-6.5,-6.36,;-1.16,-3.28,;-1.16,-1.74,;.18,-.97,;1.51,-1.75,;2.85,-.98,;1.51,-3.29,;2.85,-4.05,;4.18,-3.3,;5.5,-4.08,;6.82,-3.33,;6.84,-1.8,;8.18,-1.04,;9.51,-1.82,;10.85,-1.06,;10.86,.48,;12.18,-1.84,;13.52,-1.08,;14.85,-1.87,;16.19,-1.11,;17.52,-1.89,;18.86,-1.13,;20.19,-1.91,;20.18,-3.45,;21.54,-1.17,;22.85,-1.97,;24.2,-1.23,;24.23,.32,;22.91,1.12,;21.56,.37,;22.14,2.45,;20.6,2.45,;22.91,3.78,;25.58,1.06,;26.9,.26,;26.86,-1.26,;28.17,-2.06,;29.51,-1.32,;30.83,-2.12,;29.54,.2,;28.24,.99,;28.28,2.54,;26.96,3.33,;26.99,4.87,;25.68,5.67,;25.71,7.21,;24.32,4.94,;24.29,3.39,;25.6,2.6,;5.52,-1.03,;4.2,-1.78,;.17,-4.05,)| Show InChI InChI=1S/C47H45ClN2O12/c48-36-16-10-27(45-44(57)43(56)42(55)39(24-51)62-45)19-29(36)18-25-5-7-26(8-6-25)23-50-40(54)4-2-1-3-17-49-46(58)28-9-13-32(35(20-28)47(59)60)41-33-14-11-30(52)21-37(33)61-38-22-31(53)12-15-34(38)41/h5-16,19-22,39,42-45,51-52,55-57H,1-4,17-18,23-24H2,(H,49,58)(H,50,54)(H,59,60)/t39-,42-,43+,44-,45+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265179 (5-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydrox...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c1 |r,wU:2.1,7.7,4.11,wD:5.5,9.10,(-9.77,-41.1,;-8.43,-40.33,;-7.1,-41.09,;-5.76,-40.32,;-4.43,-41.09,;-4.43,-42.64,;-3.1,-43.41,;-5.76,-43.4,;-5.76,-44.94,;-7.1,-42.64,;-8.43,-43.41,;-3.1,-40.33,;-3.1,-38.79,;-1.75,-38.01,;-.42,-38.79,;.92,-38.02,;-.43,-40.33,;.92,-41.1,;2.25,-40.34,;3.57,-41.12,;4.9,-40.37,;4.91,-38.85,;6.25,-38.09,;7.58,-38.87,;8.92,-38.11,;8.94,-36.57,;10.25,-38.89,;10.23,-40.43,;11.56,-41.21,;12.91,-40.45,;12.91,-38.9,;11.58,-38.12,;13.67,-37.56,;12.88,-36.23,;15.21,-37.54,;14.23,-41.23,;14.22,-42.77,;12.89,-43.52,;12.87,-45.05,;14.2,-45.83,;14.19,-47.37,;15.52,-45.07,;15.54,-43.55,;16.88,-42.79,;16.89,-41.25,;18.23,-40.49,;18.25,-38.95,;19.6,-38.2,;16.92,-38.16,;15.58,-38.92,;15.57,-40.46,;3.59,-38.07,;2.27,-38.82,;-1.77,-41.09,)| Show InChI InChI=1S/C41H34ClNO11/c42-31-12-6-22(39-38(49)37(48)36(47)34(19-44)54-39)14-24(31)13-20-1-3-21(4-2-20)18-43-40(50)23-5-9-27(30(15-23)41(51)52)35-28-10-7-25(45)16-32(28)53-33-17-26(46)8-11-29(33)35/h1-12,14-17,34,36-39,44-45,47-49H,13,18-19H2,(H,43,50)(H,51,52)/t34-,36-,37+,38-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265182 (5-(6-((4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihy...) Show SMILES CN(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:17.18,22.23,15.15,wD:24.26,20.21,(8.74,-15.51,;8.75,-13.97,;7.43,-13.19,;6.08,-13.95,;6.07,-15.47,;4.74,-16.22,;3.43,-15.44,;2.1,-16.2,;.75,-15.43,;-.59,-16.19,;-1.92,-15.43,;-1.92,-13.89,;-.58,-13.11,;.76,-13.89,;2.09,-13.12,;-3.26,-16.19,;-4.59,-15.41,;-5.92,-16.19,;-7.25,-15.43,;-8.59,-16.2,;-5.92,-17.74,;-7.25,-18.51,;-4.59,-18.5,;-4.59,-20.04,;-3.26,-17.74,;-1.92,-18.51,;3.44,-13.92,;4.76,-13.17,;10.1,-13.21,;10.11,-11.67,;11.42,-13.99,;12.77,-13.23,;14.09,-14.01,;15.44,-13.25,;16.76,-14.03,;18.11,-13.27,;19.43,-14.05,;19.42,-15.6,;20.78,-13.31,;22.1,-14.11,;23.45,-13.37,;23.48,-11.83,;22.15,-11.03,;20.81,-11.78,;21.38,-9.7,;19.84,-9.69,;22.16,-8.36,;24.82,-11.09,;26.14,-11.88,;26.11,-13.41,;27.41,-14.2,;28.76,-13.46,;30.08,-14.26,;28.79,-11.94,;27.49,-11.15,;27.53,-9.61,;26.2,-8.81,;26.24,-7.27,;24.92,-6.47,;24.96,-4.93,;23.56,-7.21,;23.53,-8.75,;24.85,-9.55,)| Show InChI InChI=1S/C48H47ClN2O12/c1-51(24-27-8-6-26(7-9-27)19-30-20-28(11-17-37(30)49)46-45(58)44(57)43(56)40(25-52)63-46)41(55)5-3-2-4-18-50-47(59)29-10-14-33(36(21-29)48(60)61)42-34-15-12-31(53)22-38(34)62-39-23-32(54)13-16-35(39)42/h6-17,20-23,40,43-46,52-53,56-58H,2-5,18-19,24-25H2,1H3,(H,50,59)(H,60,61)/t40-,43-,44+,45-,46+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay				Bioorg Med Chem Lett 18: 4944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.036 BindingDB Entry DOI: 10.7270/Q27944J7
					More data for this Ligand-Target Pair