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Compile Data Set for Download or QSAR

Found 18 hits from Bristol Myers Squibb Co.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245105
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-methylb...)
Show SMILES Cc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C20H24O5/c1-12-5-7-13(8-6-12)9-14-3-2-4-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/s2
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n/an/an/an/a 22n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(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/an/an/a 50n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in Xenopus oocyte assessed as [14C]-alpha-methyl glucopyranoside uptake


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(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
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n/an/an/an/a 35n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244462
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylth...)
Show SMILES Cc1ccc(Sc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C19H22O5S/c1-11-5-7-13(8-6-11)25-14-4-2-3-12(9-14)19-18(23)17(22)16(21)15(10-20)24-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19+/s2
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n/an/an/an/a 69n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244461
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylox...)
Show SMILES Cc1ccc(Oc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C19H22O6/c1-11-5-7-13(8-6-11)24-14-4-2-3-12(9-14)19-18(23)17(22)16(21)15(10-20)25-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19+/s2
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n/an/an/an/a 540n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244425
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-p-tolyl-p...)
Show SMILES Cc1ccc(CCCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C22H28O5/c1-14-8-10-15(11-9-14)4-2-5-16-6-3-7-17(12-16)22-21(26)20(25)19(24)18(13-23)27-22/h3,6-12,18-26H,2,4-5,13H2,1H3/t18-,19-,20+,21-,22+/s2
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n/an/an/an/a 630n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244424
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-m-tolyl-p...)
Show SMILES Cc1cccc(CCCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1/C22H28O5/c1-14-5-2-6-15(11-14)7-3-8-16-9-4-10-17(12-16)22-21(26)20(25)19(24)18(13-23)27-22/h2,4-6,9-12,18-26H,3,7-8,13H2,1H3/t18-,19-,20+,21-,22+/s2
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n/an/an/an/a 1.20E+3n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244423
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(3-phenylp...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(CCCc2ccccc2)c1
Show InChI InChI=1/C21H26O5/c22-13-17-18(23)19(24)20(25)21(26-17)16-11-5-10-15(12-16)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-12,17-25H,4,8-9,13H2/t17-,18-,19+,20-,21+/s2
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n/an/an/an/a 480n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244422
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(2-p-tolyl-e...)
Show SMILES Cc1ccc(CCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C21H26O5/c1-13-5-7-14(8-6-13)9-10-15-3-2-4-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h2-8,11,17-25H,9-10,12H2,1H3/t17-,18-,19+,20-,21+/s2
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n/an/an/an/a 430n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244421
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(2-m-tolyl-e...)
Show SMILES Cc1cccc(CCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1/C21H26O5/c1-13-4-2-5-14(10-13)8-9-15-6-3-7-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h2-7,10-11,17-25H,8-9,12H2,1H3/t17-,18-,19+,20-,21+/s2
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n/an/an/an/a 970n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245138
PNG
((2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-phenethylp...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(CCc2ccccc2)c1
Show InChI InChI=1/C20H24O5/c21-12-16-17(22)18(23)19(24)20(25-16)15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11,16-24H,9-10,12H2/t16-,17-,18+,19-,20+/s2
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n/an/an/an/a 710n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245137
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(4'-methyl-biph...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C19H22O5/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)19-18(23)17(22)16(21)15(10-20)24-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19+/s2
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n/an/an/an/a 290n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245136
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(3'-methyl-biph...)
Show SMILES Cc1cccc(c1)-c1cccc(c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C19H22O5/c1-11-4-2-5-12(8-11)13-6-3-7-14(9-13)19-18(23)17(22)16(21)15(10-20)24-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19+/s2
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n/an/an/an/a 1.20E+3n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245135
PNG
((2S,3R,4R,5S,6R)-2-Biphenyl-3-yl-6-hydroxymethyl-t...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C18H20O5/c19-10-14-15(20)16(21)17(22)18(23-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-22H,10H2/t14-,15-,16+,17-,18+/s2
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n/an/an/an/a 623n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245134
PNG
((2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymeth...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1/C19H22O5/c20-11-15-16(21)17(22)18(23)19(24-15)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-23H,9,11H2/t15-,16-,17+,18-,19+/s2
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n/an/an/an/a 190n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50245106
PNG
((2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-methyl-be...)
Show SMILES Cc1cccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1/C20H24O5/c1-12-4-2-5-13(8-12)9-14-6-3-7-15(10-14)20-19(24)18(23)17(22)16(11-21)25-20/h2-8,10,16-24H,9,11H2,1H3/t16-,17-,18+,19-,20+/s2
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n/an/an/an/a 510n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(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
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n/an/an/an/a 160n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in Xenopus oocyte assessed as [14C]-alpha-methyl glucopyranoside uptake


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/s2
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n/an/an/an/a 8n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair