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Compile Data Set for Download or QSAR

Found 70 hits from Chugai Pharmaceutical Co. Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268430
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C28H40N4O4/c1-17(2)24(32(6)27(36)21(29)15-18-10-8-7-9-11-18)26(35)31-22(25(30)34)16-19-12-13-23(33)20(14-19)28(3,4)5/h7-14,17,21-22,24,33H,15-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t21-,22-,24-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20880
PNG
((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
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n/an/a 1.30n/an/an/an/an/an/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268433
PNG
((S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O3/c1-18(2)25(31(7)27(34)23(29)17-20-11-9-8-10-12-20)26(33)30-19(3)15-21-13-14-24(32)22(16-21)28(4,5)6/h8-14,16,18-19,23,25,32H,15,17,29H2,1-7H3,(H,30,33)/t19-,23+,25+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268432
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C29H42N4O4/c1-18(2)25(33(7)27(36)22(30)16-19-11-9-8-10-12-19)28(37)32(6)23(26(31)35)17-20-13-14-24(34)21(15-20)29(3,4)5/h8-15,18,22-23,25,34H,16-17,30H2,1-7H3,(H2,31,35)/t22-,23-,25-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20878
PNG
((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
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n/an/a 4.80n/an/an/an/an/an/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268377
PNG
((S)-2-amino-N-((S)-1-((S)-1-amino-3-(3-tert-butyl-...)
Show SMILES CC(C)(C)c1cc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccccc2)C(N)=O)ccc1O
Show InChI InChI=1S/C31H38N4O4/c1-31(2,3)23-16-22(14-15-27(23)36)19-25(28(33)37)34-30(39)26(18-21-12-8-5-9-13-21)35-29(38)24(32)17-20-10-6-4-7-11-20/h4-16,24-26,36H,17-19,32H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t24-,25-,26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386885
PNG
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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
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n/an/a 6.70n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386886
PNG
(CHEMBL2048488)
Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 8.30n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386883
PNG
(CHEMBL2048496)
Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1
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
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n/an/a 8.5n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386889
PNG
(CHEMBL2048493)
Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@]1(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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
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n/an/a 9.90n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386884
PNG
(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
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
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n/an/a 10n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386880
PNG
(CHEMBL2048487)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1
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
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n/an/a 11n/an/an/an/an/an/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268376
PNG
((S)-2-amino-N-((S)-2-((S)-1-amino-3-(3-tert-butyl-...)
Show SMILES CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)c2ccccc2)C(N)=O)ccc1O
Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)22-16-20(14-15-25(22)35)18-24(27(32)36)33-29(38)26(21-12-8-5-9-13-21)34-28(37)23(31)17-19-10-6-4-7-11-19/h4-16,23-24,26,35H,17-18,31H2,1-3H3,(H2,32,36)(H,33,38)(H,34,37)/t23-,24-,26-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268378
PNG
((S)-2-amino-N-((3S,6S)-3-(3-tert-butyl-4-hydroxybe...)
Show SMILES CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@H](CCCCCC(=O)CCNC2=O)NC(=O)[C@@H](N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C32H44N4O5/c1-32(2,3)24-18-22(14-15-28(24)38)20-27-30(40)34-17-16-23(37)12-8-5-9-13-26(31(41)36-27)35-29(39)25(33)19-21-10-6-4-7-11-21/h4,6-7,10-11,14-15,18,25-27,38H,5,8-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)/t25-,26-,27-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386881
PNG
(CHEMBL2048490)
Show SMILES CCc1ccc(Cc2ccc(OC)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 12n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386888
PNG
(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
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
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n/an/a 14n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386882
PNG
(CHEMBL2048492)
Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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
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n/an/a 19n/an/an/an/an/an/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268431
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C28H40N4O4/c1-17(2)24(31-26(35)21(29)15-18-10-8-7-9-11-18)27(36)32(6)22(25(30)34)16-19-12-13-23(33)20(14-19)28(3,4)5/h7-14,17,21-22,24,33H,15-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t21-,22-,24-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268429
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C28H40N4O4/c1-17(2)13-23(32-26(35)21(29)15-18-9-7-6-8-10-18)27(36)31-22(25(30)34)16-19-11-12-24(33)20(14-19)28(3,4)5/h6-12,14,17,21-23,33H,13,15-16,29H2,1-5H3,(H2,30,34)(H,31,36)(H,32,35)/t21-,22-,23-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268428
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C27H38N4O4/c1-16(2)23(31-25(34)20(28)14-17-9-7-6-8-10-17)26(35)30-21(24(29)33)15-18-11-12-22(32)19(13-18)27(3,4)5/h6-13,16,20-21,23,32H,14-15,28H2,1-5H3,(H2,29,33)(H,30,35)(H,31,34)/t20-,21-,23-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386879
PNG
(CHEMBL2048486)
Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 49n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386890
PNG
(CHEMBL2048494)
Show SMILES CCc1ccc(Cc2ccc(C)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 52n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386878
PNG
(CHEMBL2048485)
Show SMILES COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 73n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386887
PNG
(CHEMBL2048489)
Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 100n/an/an/an/an/an/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 (SGLT2)


(Homo sapiens (Human))
BDBM50386891
PNG
(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
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
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n/an/a 170n/an/an/an/an/an/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268427
PNG
((S)-2-amino-N-((S)-1-((S)-1-amino-3-(3-tert-butyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C25H34N4O4/c1-15(28-24(33)19(26)13-16-8-6-5-7-9-16)23(32)29-20(22(27)31)14-17-10-11-21(30)18(12-17)25(2,3)4/h5-12,15,19-20,30H,13-14,26H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)/t15-,19-,20-/m0/s1
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n/an/a 185n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 (SGLT2)


(Homo sapiens (Human))
BDBM50351429
PNG
(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
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n/an/a 260n/an/an/an/an/an/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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386886
PNG
(CHEMBL2048488)
Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 510n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM20880
PNG
((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
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n/an/a 800n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386885
PNG
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM20878
PNG
((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
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386883
PNG
(CHEMBL2048496)
Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1
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
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n/an/a 4.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386884
PNG
(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
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
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n/an/a 8.60E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50351429
PNG
(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
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386890
PNG
(CHEMBL2048494)
Show SMILES CCc1ccc(Cc2ccc(C)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 2.50E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386883
PNG
(CHEMBL2048496)
Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1
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
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n/an/a 2.57E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simulatenously with BFC substrate by fluorometric 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386880
PNG
(CHEMBL2048487)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1
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
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n/an/a 2.70E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386884
PNG
(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
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
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n/an/a 2.90E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simulatenously with BFC substrate by fluorometric 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386887
PNG
(CHEMBL2048489)
Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 3.10E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386880
PNG
(CHEMBL2048487)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1
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
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n/an/a 3.30E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386879
PNG
(CHEMBL2048486)
Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 3.30E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386882
PNG
(CHEMBL2048492)
Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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
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n/an/a 3.66E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simulatenously with BFC substrate by fluorometric 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386883
PNG
(CHEMBL2048496)
Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1
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
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n/an/a 4.03E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric 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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50386878
PNG
(CHEMBL2048485)
Show SMILES COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a 4.80E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386884
PNG
(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
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386878
PNG
(CHEMBL2048485)
Show SMILES COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simulatenously with BFC substrate by fluorometric 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386878
PNG
(CHEMBL2048485)
Show SMILES COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric 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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386879
PNG
(CHEMBL2048486)
Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric 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
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