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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'ding' and Initial = 'zm'   
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
Sodium/glucose cotransporter 2


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/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-/m1/s1
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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		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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		3D
3D Structure (crystal)
Sodium/glucose cotransporter 1


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300929
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-2-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccccc2-c2ccccc2)n1)C(O)=O |r|
Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-10-12-18(13-11-16)22-29-24(27)31-25(30-22)28-15-19-8-4-5-9-20(19)17-6-2-1-3-7-17/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300932
PNG
((S)-2-amino-3-(4-(4-amino-6-((4'-methylbiphenyl-4-...)
Show SMILES Cc1ccc(cc1)-c1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1 |r|
Show InChI InChI=1S/C26H26N6O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-29-26-31-23(30-25(28)32-26)21-12-4-17(5-13-21)14-22(27)24(33)34/h2-13,22H,14-15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM176405
PNG
(US9688710, 4 4-(4-(2-methyl-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(C)c(Cc2ccc(OCC(O)CO)cc2)c1 |r|
Show InChI InChI=1S/C23H30O7S/c1-13-3-6-15(22-20(27)19(26)21(28)23(30-22)31-2)10-16(13)9-14-4-7-18(8-5-14)29-12-17(25)11-24/h3-8,10,17,19-28H,9,11-12H2,1-2H3/t17?,19-,20-,21+,22+,23-/m1/s1
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n/an/a 15n/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 1


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(Homo sapiens (Human))		BDBM176405
PNG
(US9688710, 4 4-(4-(2-methyl-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(C)c(Cc2ccc(OCC(O)CO)cc2)c1 |r|
Show InChI InChI=1S/C23H30O7S/c1-13-3-6-15(22-20(27)19(26)21(28)23(30-22)31-2)10-16(13)9-14-4-7-18(8-5-14)29-12-17(25)11-24/h3-8,10,17,19-28H,9,11-12H2,1-2H3/t17?,19-,20-,21+,22+,23-/m1/s1
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n/an/a 15n/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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300935
PNG
((S)-3-{4-[4-(1-Adamantan-1-yl-ethylamino)-6-amino-...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Show InChI InChI=1S/C24H32N6O2/c1-13(24-10-15-6-16(11-24)8-17(7-15)12-24)27-23-29-20(28-22(26)30-23)18-4-2-14(3-5-18)9-19(25)21(31)32/h2-5,13,15-17,19H,6-12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t13?,15?,16?,17?,19-,24?/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300934
PNG
((2S)-2-amino-3-(4-(4-amino-6-(1-(biphenyl-4-yl)eth...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H26N6O2/c1-16(18-11-13-20(14-12-18)19-5-3-2-4-6-19)29-26-31-23(30-25(28)32-26)21-9-7-17(8-10-21)15-22(27)24(33)34/h2-14,16,22H,15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t16?,22-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r|
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 25n/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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50243020
PNG
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 36n/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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300930
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-3-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2cccc(c2)-c2ccccc2)n1)C(O)=O |r|
Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-9-11-19(12-10-16)22-29-24(27)31-25(30-22)28-15-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300936
PNG
((S)-2-amino-3-(4-(4-amino-6-((S)-1-(naphthalen-2-y...)
Show SMILES C[C@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300940
PNG
((S)-2-amino-3-(4-(4-amino-6-(methyl((R)-1-(naphtha...)
Show SMILES C[C@@H](N(C)c1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N6O2/c1-15(19-12-11-17-5-3-4-6-20(17)14-19)31(2)25-29-22(28-24(27)30-25)18-9-7-16(8-10-18)13-21(26)23(32)33/h3-12,14-15,21H,13,26H2,1-2H3,(H,32,33)(H2,27,28,29,30)/t15-,21+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300937
PNG
((S)-2-amino-3-(4-(4-amino-6-(2-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N6O2/c1-25(2,19-12-11-16-5-3-4-6-18(16)14-19)31-24-29-21(28-23(27)30-24)17-9-7-15(8-10-17)13-20(26)22(32)33/h3-12,14,20H,13,26H2,1-2H3,(H,32,33)(H3,27,28,29,30,31)/t20-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300928
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-4-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O |r|
Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-6-12-20(13-7-16)22-29-24(27)31-25(30-22)28-15-17-8-10-19(11-9-17)18-4-2-1-3-5-18/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300925
PNG
((S)-2-amino-3-(4-(4-amino-6-(3,4-dimethylbenzylami...)
Show SMILES Cc1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1C |r|
Show InChI InChI=1S/C21H24N6O2/c1-12-3-4-15(9-13(12)2)11-24-21-26-18(25-20(23)27-21)16-7-5-14(6-8-16)10-17(22)19(28)29/h3-9,17H,10-11,22H2,1-2H3,(H,28,29)(H3,23,24,25,26,27)/t17-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))		BDBM50300942
PNG
((2S)-2-amino-3-(4-(4-amino-6-(3-methyl-1-(naphthal...)
Show SMILES CC(C)CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C27H30N6O2/c1-16(2)13-23(21-12-11-18-5-3-4-6-20(18)15-21)30-27-32-24(31-26(29)33-27)19-9-7-17(8-10-19)14-22(28)25(34)35/h3-12,15-16,22-23H,13-14,28H2,1-2H3,(H,34,35)(H3,29,30,31,32,33)/t22-,23?/m0/s1
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay

Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
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