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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'powell' and Initial = 'dr'   
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 (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 |r|
UniProtKB/SwissProt

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n/an/a 0.900n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.10n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.60n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.80n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 1.90n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 2n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 2.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 2.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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n/an/a 2.40n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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n/an/a 2.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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 |r|
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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Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116774
PNG
(CHEMBL3608796)
Show SMILES Clc1cccc(Nc2n[nH]c3ccc(Cl)cc23)c1
Show InChI InChI=1S/C13H9Cl2N3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


BindingDB Entry DOI: 10.7270/Q2MP552Z
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 |r|
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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Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116776
PNG
(CHEMBL3608798)
Show SMILES Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50049427
PNG
(CHEMBL3315350)
Show SMILES [H][C@]1(CO1)C(=O)CCCCC[C@@H]1NC(=O)[C@@]2([H])CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)/t17-,19-,20-,21+,23-/s2
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University of Oklahoma

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell lysates after 30 mins by fluorescence based assay


J Nat Prod 77: 1753-7 (2014)


Article DOI: 10.1021/np500387h
BindingDB Entry DOI: 10.7270/Q29Z96J4
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
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-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116778
PNG
(CHEMBL3608800)
Show SMILES COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3O/c1-19-11-5-6-13-12(8-11)14(18-17-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302617
PNG
((2S,3R,4R,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phe...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O)cc2)c1 |r|
Show InChI InChI=1S/C19H21ClO6/c1-25-19-17(24)15(22)16(23)18(26-19)11-4-7-14(20)12(9-11)8-10-2-5-13(21)6-3-10/h2-7,9,15-19,21-24H,8H2,1H3/t15-,16-,17+,18+,19?/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
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 |r|
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




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302616
PNG
((2S,3R,4R,5S)-2-(4-Chloro-3-(4-(2-hydroxyethoxy)be...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCO)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-27-21-19(26)17(24)18(25)20(29-21)13-4-7-16(22)14(11-13)10-12-2-5-15(6-3-12)28-9-8-23/h2-7,11,17-21,23-26H,8-10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM3263
PNG
(4-Anilino quinazoline deriv. 14 | CHEMBL329672 | C...)
Show SMILES Clc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 11n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243565
PNG
((S)-2-amino-3-(4-(5-(naphthalen-2-ylmethylamino)py...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc3ccccc3c2)cn1)C(O)=O |r|
Show InChI InChI=1S/C24H22N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-11,14-15,21H,12-13,25H2,(H,27,28)(H,29,30)/t21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
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 (SGLT2)


(Homo sapiens (Human))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/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 14n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116702
PNG
(CHEMBL3608697)
Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClNO3/c1-19-11-5-6-13(17)12(8-11)14(18)16-10-4-2-3-9(15)7-10/h2-8,17H,1H3,(H,16,18)
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n/an/a 15n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(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=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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n/an/a 15n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


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


(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=1/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-/s2
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n/an/a 15n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


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


(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=1/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-/s2
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Lexicon Pharmaceuticals

Curated by ChEMBL




J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
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