Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50039960 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM20880
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM20878
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386885
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...)Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1 | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386886
(CHEMBL2048488)Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O5/c1-3-14-4-6-15(7-5-14)10-17-11-16(8-9-20(17)28-2)19-12-18(13-24)21(25)23(27)22(19)26/h4-9,11,18-19,21-27H,3,10,12-13H2,1-2H3/t18-,19+,21-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386883
(CHEMBL2048496)Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1 |r| Show InChI InChI=1S/C24H32O6/c1-4-14-5-7-15(8-6-14)9-16-10-18(21(30-3)12-20(16)29-2)19-11-17(13-25)22(26)24(28)23(19)27/h5-8,10,12,17,19,22-28H,4,9,11,13H2,1-3H3/t17-,19+,22-,23+,24+/m1/s1 | PDB
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| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386889
(CHEMBL2048493)Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@]1(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H32O6/c1-3-15-5-7-16(8-6-15)11-17-9-10-20(30-4-2)19(12-17)24(29)13-18(14-25)21(26)22(27)23(24)28/h5-10,12,18,21-23,25-29H,3-4,11,13-14H2,1-2H3/t18-,21-,22+,23-,24-/m1/s1 | PDB
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| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386884
(CHEMBL2048497)Show SMILES CCc1ccc(Cc2cc(c(OC)cc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C24H32O7/c1-4-14-5-7-15(8-6-14)9-16-10-18(20(31-3)11-19(16)30-2)24(29)12-17(13-25)21(26)22(27)23(24)28/h5-8,10-11,17,21-23,25-29H,4,9,12-13H2,1-3H3/t17-,21-,22+,23-,24-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386880
(CHEMBL2048487)Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1 |r| Show InChI InChI=1S/C23H28O4/c24-13-19-12-20(22(26)23(27)21(19)25)18-3-1-2-15(11-18)10-14-4-6-16(7-5-14)17-8-9-17/h1-7,11,17,19-27H,8-10,12-13H2/t19-,20+,21-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386881
(CHEMBL2048490)Show SMILES CCc1ccc(Cc2ccc(OC)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O5/c1-3-14-4-6-15(7-5-14)10-16-8-9-20(28-2)18(11-16)19-12-17(13-24)21(25)23(27)22(19)26/h4-9,11,17,19,21-27H,3,10,12-13H2,1-2H3/t17-,19+,21-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386888
(CHEMBL2048491)Show SMILES CCc1ccc(Cc2ccc(OC)c(c2)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O6/c1-3-14-4-6-15(7-5-14)10-16-8-9-19(29-2)18(11-16)23(28)12-17(13-24)20(25)21(26)22(23)27/h4-9,11,17,20-22,24-28H,3,10,12-13H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM20875
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386882
(CHEMBL2048492)Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H32O5/c1-3-15-5-7-16(8-6-15)11-17-9-10-21(29-4-2)19(12-17)20-13-18(14-25)22(26)24(28)23(20)27/h5-10,12,18,20,22-28H,3-4,11,13-14H2,1-2H3/t18-,20+,22-,23+,24+/m1/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386879
(CHEMBL2048486)Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O4/c1-2-14-6-8-15(9-7-14)10-16-4-3-5-17(11-16)19-12-18(13-23)20(24)22(26)21(19)25/h3-9,11,18-26H,2,10,12-13H2,1H3/t18-,19+,20-,21+,22+/m1/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386890
(CHEMBL2048494)Show SMILES CCc1ccc(Cc2ccc(C)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O4/c1-3-15-6-8-16(9-7-15)10-17-5-4-14(2)19(11-17)20-12-18(13-24)21(25)23(27)22(20)26/h4-9,11,18,20-27H,3,10,12-13H2,1-2H3/t18-,20+,21-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386878
(CHEMBL2048485)Show SMILES COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H26O5/c1-26-17-7-5-13(6-8-17)9-14-3-2-4-15(10-14)18-11-16(12-22)19(23)21(25)20(18)24/h2-8,10,16,18-25H,9,11-12H2,1H3/t16-,18+,19-,20+,21+/m1/s1 | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386887
(CHEMBL2048489)Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O6/c1-3-14-4-6-15(7-5-14)10-16-11-18(8-9-19(16)29-2)23(28)12-17(13-24)20(25)21(26)22(23)27/h4-9,11,17,20-22,24-28H,3,10,12-13H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50386891
(CHEMBL2048495)Show SMILES CCc1ccc(Cc2ccc(C)c(c2)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H30O5/c1-3-15-6-8-16(9-7-15)10-17-5-4-14(2)19(11-17)23(28)12-18(13-24)20(25)21(26)22(23)27/h4-9,11,18,20-22,24-28H,3,10,12-13H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1 | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50351429
(CHEMBL450044)Show SMILES CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(OC)cc2)C(O)C(O)C1O Show InChI InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3 | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay |
Bioorg Med Chem 20: 4117-27 (2012)
Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ |
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Ligand-Target Pair | |
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