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Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'carson' and Initial = 'kg'   
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
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311570
PNG
(2-(6-(4-(4-aminopyrimidin-2-yloxy)piperidin-1-yl)-...)
Show SMILES Nc1ccnc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)n1
Show InChI InChI=1S/C20H18FN7O2/c21-17-18(25-12-26-19(17)30-15-4-2-1-3-13(15)11-22)28-9-6-14(7-10-28)29-20-24-8-5-16(23)27-20/h1-5,8,12,14H,6-7,9-10H2,(H2,23,24,27)
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n/an/a 0.700n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1
Show InChI InChI=1/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311564
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-14-10-25-20(28-17(14)24)30-13-5-7-29(8-6-13)18-16(22)19(27-11-26-18)31-15-4-2-1-3-12(15)9-23/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311568
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(cc1Oc1ncnc(N2CCC(CC2)Oc2ncc(F)c(N)n2)c1F)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-15-3-2-12(9-24)8-16(15)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-14(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176693
PNG
(US9688710, 116 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC3(CC3)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H45N3O6S/c1-21-7-12-24(30-28(39)27(38)29(40)31(42-30)43-3)20-25(21)19-23-10-8-22(9-11-23)5-4-6-26(37)34-33(13-14-33)32(41)36-17-15-35(2)16-18-36/h7-12,20,27-31,38-40H,4-6,13-19H2,1-3H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1
Show InChI InChI=1/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176697
PNG
(US9688710, 120 N-(2-methyl-1-(4-methylpiperidin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCC(C)CC3)cc2)c1
Show InChI InChI=1/C34H48N2O6S/c1-21-15-17-36(18-16-21)33(41)34(3,4)35-27(37)8-6-7-23-10-12-24(13-11-23)19-26-20-25(14-9-22(26)2)31-29(39)28(38)30(40)32(42-31)43-5/h9-14,20-21,28-32,38-40H,6-8,15-19H2,1-5H3,(H,35,37)/t28-,29-,30+,31+,32-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1
Show InChI InChI=1/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1
Show InChI InChI=1/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311609
PNG
(CHEMBL1080444 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccn1)-c1cc2ccccc2s1
Show InChI InChI=1/C23H20FN5O2S/c24-17-12-29(23(31)28-21(17)25)16-6-5-15(11-16)27-22(30)18-9-14(7-8-26-18)20-10-13-3-1-2-4-19(13)32-20/h1-4,7-10,12,15-16H,5-6,11H2,(H,27,30)(H2,25,28,31)/t15-,16-/s2
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50235017
PNG
(LP-802034 | LX-4211 | SOTAGLIFLOZIN | Sotagliflozi...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1
Show InChI InChI=1/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311569
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)c(c1)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-14-2-3-16(12(8-14)9-24)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-15(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176714
PNG
(US9688710, 136 N-(1-((2-(dimethylamino)ethyl)amino...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)c1
Show InChI InChI=1/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176544
PNG
(US9688710, 104 2,2-dimethyl-3-((4-(4-(2-methyl-5-(...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCCNCC(C)(C)C(N)=O)cc2)c1
Show InChI InChI=1/C29H42N2O5S/c1-18-8-13-21(26-24(33)23(32)25(34)27(36-26)37-4)16-22(18)15-20-11-9-19(10-12-20)7-5-6-14-31-17-29(2,3)28(30)35/h8-13,16,23-27,31-34H,5-7,14-15,17H2,1-4H3,(H2,30,35)/t23-,24-,25+,26+,27-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1
Show InChI InChI=1/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176697
PNG
(US9688710, 120 N-(2-methyl-1-(4-methylpiperidin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCC(C)CC3)cc2)c1
Show InChI InChI=1/C34H48N2O6S/c1-21-15-17-36(18-16-21)33(41)34(3,4)35-27(37)8-6-7-23-10-12-24(13-11-23)19-26-20-25(14-9-22(26)2)31-29(39)28(38)30(40)32(42-31)43-5/h9-14,20-21,28-32,38-40H,6-8,15-19H2,1-5H3,(H,35,37)/t28-,29-,30+,31+,32-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176701
PNG
(US9688710, 124 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C31H43N3O6S/c1-20-7-12-23(30-28(38)27(37)29(39)31(40-30)41-3)18-24(20)17-22-10-8-21(9-11-22)5-4-6-25(35)32-19-26(36)34-15-13-33(2)14-16-34/h7-12,18,27-31,37-39H,4-6,13-17,19H2,1-3H3,(H,32,35)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176693
PNG
(US9688710, 116 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC3(CC3)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H45N3O6S/c1-21-7-12-24(30-28(39)27(38)29(40)31(42-30)43-3)20-25(21)19-23-10-8-22(9-11-23)5-4-6-26(37)34-33(13-14-33)32(41)36-17-15-35(2)16-18-36/h7-12,20,27-31,38-40H,4-6,13-19H2,1-3H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176712
PNG
(US9688710, 135 (3R,4R,5S,6R)-2-(3-(4-(3-((1-hydrox...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNC(C)(C)CO)cc2)c1
Show InChI InChI=1/C27H39NO6S/c1-17-6-9-19(25-23(31)22(30)24(32)26(34-25)35-4)15-20(17)14-18-7-10-21(11-8-18)33-13-5-12-28-27(2,3)16-29/h6-11,15,22-26,28-32H,5,12-14,16H2,1-4H3/t22-,23-,24+,25+,26-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176725
PNG
(US9688710, 147 N-(2-methyl-1-((1-methylpiperidin-4...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NC3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C34H49N3O6S/c1-21-9-14-24(31-29(40)28(39)30(41)32(43-31)44-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-27(38)36-34(2,3)33(42)35-26-15-17-37(4)18-16-26/h9-14,20,26,28-32,39-41H,6-8,15-19H2,1-5H3,(H,35,42)(H,36,38)/t28-,29-,30+,31+,32-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176714
PNG
(US9688710, 136 N-(1-((2-(dimethylamino)ethyl)amino...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)c1
Show InChI InChI=1/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176446
PNG
(US9688710, 45 N-(2-methyl-1-(4-methylpiperazin-1-y...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H47N3O7S/c1-21-8-11-23(30-28(39)27(38)29(40)31(43-30)44-5)20-24(21)19-22-9-12-25(13-10-22)42-18-6-7-26(37)34-33(2,3)32(41)36-16-14-35(4)15-17-36/h8-13,20,27-31,38-40H,6-7,14-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311556
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3C#N)ncn2)ncc1F
Show InChI InChI=1S/C20H18FN7O2/c21-15-11-24-20(27-19(15)23)29-14-5-7-28(8-6-14)17-9-18(26-12-25-17)30-16-4-2-1-3-13(16)10-22/h1-4,9,11-12,14H,5-8H2,(H2,23,24,27)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311551
PNG
(2-(1-(6-(biphenyl-2-yloxy)pyrimidin-4-yl)piperidin...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3-c3ccccc3)ncn2)ncc1F
Show InChI InChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311554
PNG
(2-(1-(6-(2-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3Cl)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311544
PNG
(2-(2-(1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OCCC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C23H23FN6OS/c24-17-13-26-23(29-22(17)25)31-10-7-15-5-8-30(9-6-15)21-12-18(27-14-28-21)20-11-16-3-1-2-4-19(16)32-20/h1-4,11-15H,5-10H2,(H2,25,26,29)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311560
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c(c1)C#N
Show InChI InChI=1S/C21H20FN7O3/c1-30-15-2-3-17(13(8-15)10-23)32-19-9-18(26-12-27-19)29-6-4-14(5-7-29)31-21-25-11-16(22)20(24)28-21/h2-3,8-9,11-12,14H,4-7H2,1H3,(H2,24,25,28)
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176706
PNG
(US9688710, 129 2-methyl-2-((4-(4-(2-methyl-5-((2S,...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCCNC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H49N3O5S/c1-22-9-14-25(30-28(38)27(37)29(39)31(41-30)42-5)21-26(22)20-24-12-10-23(11-13-24)8-6-7-15-34-33(2,3)32(40)36-18-16-35(4)17-19-36/h9-14,21,27-31,34,37-39H,6-8,15-20H2,1-5H3/t27-,28-,29+,30+,31-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176712
PNG
(US9688710, 135 (3R,4R,5S,6R)-2-(3-(4-(3-((1-hydrox...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNC(C)(C)CO)cc2)c1
Show InChI InChI=1/C27H39NO6S/c1-17-6-9-19(25-23(31)22(30)24(32)26(34-25)35-4)15-20(17)14-18-7-10-21(11-8-18)33-13-5-12-28-27(2,3)16-29/h6-11,15,22-26,28-32H,5,12-14,16H2,1-4H3/t22-,23-,24+,25+,26-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176704
PNG
(US9688710, 127 N-(2,2-dimethyl-3-(4-methylpiperazi...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C34H49N3O6S/c1-22-9-14-25(31-29(40)28(39)30(41)32(43-31)44-5)20-26(22)19-24-12-10-23(11-13-24)7-6-8-27(38)35-21-34(2,3)33(42)37-17-15-36(4)16-18-37/h9-14,20,28-32,39-41H,6-8,15-19,21H2,1-5H3,(H,35,38)/t28-,29-,30+,31+,32-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176544
PNG
(US9688710, 104 2,2-dimethyl-3-((4-(4-(2-methyl-5-(...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCCNCC(C)(C)C(N)=O)cc2)c1
Show InChI InChI=1/C29H42N2O5S/c1-18-8-13-21(26-24(33)23(32)25(34)27(36-26)37-4)16-22(18)15-20-11-9-19(10-12-20)7-5-6-14-31-17-29(2,3)28(30)35/h8-13,16,23-27,31-34H,5-7,14-15,17H2,1-4H3,(H2,30,35)/t23-,24-,25+,26+,27-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176727
PNG
(US9688710, 149 1-(1-hydroxy-2-methylpropan-2-yl)-3...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCNC(=O)NC(C)(C)CO)cc2)c1
Show InChI InChI=1/C27H38N2O7S/c1-16-5-8-18(24-22(32)21(31)23(33)25(36-24)37-4)14-19(16)13-17-6-9-20(10-7-17)35-12-11-28-26(34)29-27(2,3)15-30/h5-10,14,21-25,30-33H,11-13,15H2,1-4H3,(H2,28,29,34)/t21-,22-,23+,24+,25-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176725
PNG
(US9688710, 147 N-(2-methyl-1-((1-methylpiperidin-4...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NC3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C34H49N3O6S/c1-21-9-14-24(31-29(40)28(39)30(41)32(43-31)44-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-27(38)36-34(2,3)33(42)35-26-15-17-37(4)18-16-26/h9-14,20,26,28-32,39-41H,6-8,15-19H2,1-5H3,(H,35,42)(H,36,38)/t28-,29-,30+,31+,32-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176446
PNG
(US9688710, 45 N-(2-methyl-1-(4-methylpiperazin-1-y...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C33H47N3O7S/c1-21-8-11-23(30-28(39)27(38)29(40)31(43-30)44-5)20-24(21)19-22-9-12-25(13-10-22)42-18-6-7-26(37)34-33(2,3)32(41)36-16-14-35(4)15-17-36/h8-13,20,27-31,38-40H,6-7,14-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311566
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3cccc(c3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-13-4-6-29(7-5-13)18-16(22)19(27-11-26-18)30-14-3-1-2-12(8-14)9-23/h1-3,8,10-11,13H,4-7H2,(H2,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311565
PNG
(5-fluoro-2-(1-(5-fluoro-6-(4-methoxyphenoxy)pyrimi...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)cc1
Show InChI InChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176403
PNG
(US9688710, 2 4-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(O)=O)cc2)c1
Show InChI InChI=1/C23H27ClO7S/c1-32-23-21(29)19(27)20(28)22(31-23)14-6-9-17(24)15(12-14)11-13-4-7-16(8-5-13)30-10-2-3-18(25)26/h4-9,12,19-23,27-29H,2-3,10-11H2,1H3,(H,25,26)/t19-,20-,21+,22+,23-/s2
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n/an/a 4.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311548
PNG
(5-fluoro-2-(1-(6-(2-methoxyphenoxy)pyrimidin-4-yl)...)
Show SMILES COc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311563
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2Br)ncc1F
Show InChI InChI=1S/C20H17BrFN7O2/c21-16-18(26-11-27-19(16)31-15-4-2-1-3-12(15)9-23)29-7-5-13(6-8-29)30-20-25-10-14(22)17(24)28-20/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311567
PNG
(4-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccc(cc3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-14-5-7-29(8-6-14)18-16(22)19(27-11-26-18)30-13-3-1-12(9-23)2-4-13/h1-4,10-11,14H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176438
PNG
(US9688710, 37 2-methyl-2-(2-(4-(2-methyl-5-((2S,3R...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCC(=O)NC(C)(C)C(N)=O)cc2)c1
Show InChI InChI=1/C26H34N2O7S/c1-14-5-8-16(23-21(31)20(30)22(32)24(35-23)36-4)12-17(14)11-15-6-9-18(10-7-15)34-13-19(29)28-26(2,3)25(27)33/h5-10,12,20-24,30-32H,11,13H2,1-4H3,(H2,27,33)(H,28,29)/t20-,21-,22+,23+,24-/s2
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n/an/a 5.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311558
PNG
(5-fluoro-2-(1-(6-(2-fluorophenoxy)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3F)ncn2)ncc1F
Show InChI InChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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n/an/a 6n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176704
PNG
(US9688710, 127 N-(2,2-dimethyl-3-(4-methylpiperazi...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C34H49N3O6S/c1-22-9-14-25(31-29(40)28(39)30(41)32(43-31)44-5)20-26(22)19-24-12-10-23(11-13-24)7-6-8-27(38)35-21-34(2,3)33(42)37-17-15-36(4)16-18-37/h9-14,20,28-32,39-41H,6-8,15-19,21H2,1-5H3,(H,35,38)/t28-,29-,30+,31+,32-/s2
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n/an/a 6.80n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM176701
PNG
(US9688710, 124 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(=O)N3CCN(C)CC3)cc2)c1
Show InChI InChI=1/C31H43N3O6S/c1-20-7-12-23(30-28(38)27(37)29(39)31(40-30)41-3)18-24(20)17-22-10-8-21(9-11-22)5-4-6-25(35)32-19-26(36)34-15-13-33(2)14-16-34/h7-12,18,27-31,37-39H,4-6,13-17,19H2,1-3H3,(H,32,35)/t27-,28-,29+,30+,31-/s2
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n/an/a 8.40n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311550
PNG
(5-fluoro-2-(1-(6-(o-tolyloxy)pyrimidin-4-yl)piperi...)
Show SMILES Cc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O2/c1-13-4-2-3-5-16(13)29-18-10-17(24-12-25-18)27-8-6-14(7-9-27)28-20-23-11-15(21)19(22)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311559
PNG
(2-(1-(6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl)p...)
Show SMILES Cc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM176733
PNG
(US9688710, 154 N-(2-amino-2-methylpropyl)-4-(4-(2-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NCC(C)CN)cc2)c1
Show InChI InChI=1/C28H40N2O5S/c1-17(15-29)16-30-23(31)6-4-5-19-8-10-20(11-9-19)13-22-14-21(12-7-18(22)2)27-25(33)24(32)26(34)28(35-27)36-3/h7-12,14,17,24-28,32-34H,4-6,13,15-16,29H2,1-3H3,(H,30,31)/t17?,24-,25-,26+,27+,28-/s2
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US Patent
n/an/a<10n/an/an/an/a7.3n/a



Lexicon Pharmaceuticals, Inc.

US Patent


Assay Description
Human sodium/glucose co-transporter type 2 (SGLT2; accession number P31639; GI:400337) was cloned into pIRESpuro2 vector for mammalian expression (co...


US Patent US9688710 (2017)


BindingDB Entry DOI: 10.7270/Q2154F7P
More data for this
Ligand-Target Pair
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