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Found 337 hits Enz. Inhib. hit(s) with Target = 'Ileal bile acid transporter/bile acid cotransporter' AND taxid = 9606   
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
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322476
PNG
((2S)-5-(4-tert-butylphenylamino)-2-((4R)-4-((3R,7R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(cc1)C(C)(C)C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C39H60N2O6/c1-23(7-15-34(45)41-31(36(46)47)14-16-33(44)40-26-10-8-24(9-11-26)37(2,3)4)28-12-13-29-35-30(18-20-39(28,29)6)38(5)19-17-27(42)21-25(38)22-32(35)43/h8-11,23,25,27-32,35,42-43H,7,12-22H2,1-6H3,(H,40,44)(H,41,45)(H,46,47)/t23-,25-,27-,28-,29+,30+,31+,32-,35+,38+,39-/m1/s1
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275n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322507
PNG
((2S)-5-(3-tert-butylphenylamino)-2-((4R)-4-((3R,7R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(c1)C(C)(C)C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C39H60N2O6/c1-23(10-14-34(45)41-31(36(46)47)13-15-33(44)40-26-9-7-8-24(20-26)37(2,3)4)28-11-12-29-35-30(17-19-39(28,29)6)38(5)18-16-27(42)21-25(38)22-32(35)43/h7-9,20,23,25,27-32,35,42-43H,10-19,21-22H2,1-6H3,(H,40,44)(H,41,45)(H,46,47)/t23-,25-,27-,28-,29+,30+,31+,32-,35+,38+,39-/m1/s1
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587n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322501
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C)c1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H54N2O6/c1-21-6-5-7-24(18-21)37-31(41)13-11-29(34(43)44)38-32(42)12-8-22(2)26-9-10-27-33-28(15-17-36(26,27)4)35(3)16-14-25(39)19-23(35)20-30(33)40/h5-7,18,22-23,25-30,33,39-40H,8-17,19-20H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t22-,23-,25-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1
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889n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322480
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)CCC(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C)C(O)=O
Show InChI InChI=1S/C38H56N2O8/c1-5-48-36(47)25-8-6-7-9-29(25)39-33(44)15-13-30(35(45)46)40-32(43)14-10-22(2)26-11-12-27-34-28(17-19-38(26,27)4)37(3)18-16-24(41)20-23(37)21-31(34)42/h6-9,22-24,26-28,30-31,34,41-42H,5,10-21H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t22-,23-,24-,26-,27+,28+,30+,31-,34+,37+,38-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322498
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(F)c1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H51FN2O6/c1-20(7-11-31(42)38-28(33(43)44)10-12-30(41)37-23-6-4-5-22(36)19-23)25-8-9-26-32-27(14-16-35(25,26)3)34(2)15-13-24(39)17-21(34)18-29(32)40/h4-6,19-21,24-29,32,39-40H,7-18H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322474
PNG
((S)-5-(4-chlorophenylamino)-2-((R)-4-((3R,5R,7R,8R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(Cl)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H51ClN2O6/c1-20(4-12-31(42)38-28(33(43)44)11-13-30(41)37-23-7-5-22(36)6-8-23)25-9-10-26-32-27(15-17-35(25,26)3)34(2)16-14-24(39)18-21(34)19-29(32)40/h5-8,20-21,24-29,32,39-40H,4,9-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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1.91E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322473
PNG
((S)-2-((R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7...)
Show SMILES CC(CCC(=O)NC(CCC(=O)Nc1ccccc1)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C35H52N2O6/c1-21(9-13-31(41)37-28(33(42)43)12-14-30(40)36-23-7-5-4-6-8-23)25-10-11-26-32-27(16-18-35(25,26)3)34(2)17-15-24(38)19-22(34)20-29(32)39/h4-8,21-22,24-29,32,38-39H,9-20H2,1-3H3,(H,36,40)(H,37,41)(H,42,43)/t21-,22-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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2.01E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322475
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(cc1)C(F)(F)F)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H51F3N2O6/c1-20(4-12-31(45)41-28(33(46)47)11-13-30(44)40-23-7-5-21(6-8-23)36(37,38)39)25-9-10-26-32-27(15-17-35(25,26)3)34(2)16-14-24(42)18-22(34)19-29(32)43/h5-8,20,22,24-29,32,42-43H,4,9-19H2,1-3H3,(H,40,44)(H,41,45)(H,46,47)/t20-,22-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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2.02E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322491
PNG
(3-((S)-5-(benzylperoxy)-4-((R)-4-((3R,5R,7R,8R,9S,...)
Show SMILES CC(CCC(=O)NC(CCC(=O)Nc1cccc(c1)C(O)=O)C(=O)OOCc1ccccc1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C43H58N2O9/c1-26(32-13-14-33-39-34(19-21-43(32,33)3)42(2)20-18-31(46)23-29(42)24-36(39)47)12-16-38(49)45-35(41(52)54-53-25-27-8-5-4-6-9-27)15-17-37(48)44-30-11-7-10-28(22-30)40(50)51/h4-11,22,26,29,31-36,39,46-47H,12-21,23-25H2,1-3H3,(H,44,48)(H,45,49)(H,50,51)/t26-,29-,31-,32-,33+,34+,35+,36-,39+,42+,43-/m1/s1
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2.24E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322477
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C37H54N2O8/c1-21(9-13-31(42)39-29(34(44)45)12-14-32(43)38-28-8-6-5-7-24(28)35(46)47-4)25-10-11-26-33-27(16-18-37(25,26)3)36(2)17-15-23(40)19-22(36)20-30(33)41/h5-8,21-23,25-27,29-30,33,40-41H,9-20H2,1-4H3,(H,38,43)(H,39,42)(H,44,45)/t21-,22-,23-,25-,26+,27+,29+,30-,33+,36+,37-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322497
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1F)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H51FN2O6/c1-20(8-12-30(41)38-28(33(43)44)11-13-31(42)37-27-7-5-4-6-26(27)36)23-9-10-24-32-25(15-17-35(23,24)3)34(2)16-14-22(39)18-21(34)19-29(32)40/h4-7,20-25,28-29,32,39-40H,8-19H2,1-3H3,(H,37,42)(H,38,41)(H,43,44)/t20-,21-,22-,23-,24+,25+,28+,29-,32+,34+,35-/m1/s1
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2.31E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322500
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H54N2O6/c1-21(9-13-31(41)38-29(34(43)44)12-14-32(42)37-28-8-6-5-7-22(28)2)25-10-11-26-33-27(16-18-36(25,26)4)35(3)17-15-24(39)19-23(35)20-30(33)40/h5-8,21,23-27,29-30,33,39-40H,9-20H2,1-4H3,(H,37,42)(H,38,41)(H,43,44)/t21-,23-,24-,25-,26+,27+,29+,30-,33+,35+,36-/m1/s1
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2.63E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322484
PNG
((2S)-5-(2-aminophenylamino)-2-((4R)-4-((3R,7R,8R,9...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1N)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H53N3O6/c1-20(8-12-30(41)38-28(33(43)44)11-13-31(42)37-27-7-5-4-6-26(27)36)23-9-10-24-32-25(15-17-35(23,24)3)34(2)16-14-22(39)18-21(34)19-29(32)40/h4-7,20-25,28-29,32,39-40H,8-19,36H2,1-3H3,(H,37,42)(H,38,41)(H,43,44)/t20-,21-,22-,23-,24+,25+,28+,29-,32+,34+,35-/m1/s1
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2.64E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322499
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H51FN2O6/c1-20(4-12-31(42)38-28(33(43)44)11-13-30(41)37-23-7-5-22(36)6-8-23)25-9-10-26-32-27(15-17-35(25,26)3)34(2)16-14-24(39)18-21(34)19-29(32)40/h5-8,20-21,24-29,32,39-40H,4,9-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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3.02E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322487
PNG
((2S)-5-(2,4-difluorophenylamino)-2-((4R)-4-((3R,7R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1F)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50F2N2O6/c1-19(4-10-30(42)39-28(33(44)45)9-11-31(43)38-27-8-5-21(36)18-26(27)37)23-6-7-24-32-25(13-15-35(23,24)3)34(2)14-12-22(40)16-20(34)17-29(32)41/h5,8,18-20,22-25,28-29,32,40-41H,4,6-7,9-17H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t19-,20-,22-,23-,24+,25+,28+,29-,32+,34+,35-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322502
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(C)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H54N2O6/c1-21-5-8-24(9-6-21)37-31(41)14-12-29(34(43)44)38-32(42)13-7-22(2)26-10-11-27-33-28(16-18-36(26,27)4)35(3)17-15-25(39)19-23(35)20-30(33)40/h5-6,8-9,22-23,25-30,33,39-40H,7,10-20H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t22-,23-,25-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50420187
PNG
(CHEMBL2074643 | CHENODIOL)
Show SMILES C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322503
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COc1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C36H54N2O7/c1-21(9-13-31(41)38-28(34(43)44)12-14-32(42)37-27-7-5-6-8-30(27)45-4)24-10-11-25-33-26(16-18-36(24,25)3)35(2)17-15-23(39)19-22(35)20-29(33)40/h5-8,21-26,28-29,33,39-40H,9-20H2,1-4H3,(H,37,42)(H,38,41)(H,43,44)/t21-,22-,23-,24-,25+,26+,28+,29-,33+,35+,36-/m1/s1
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3.89E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322506
PNG
((2S)-5-(2-tert-butylphenylamino)-2-((4R)-4-((3R,7R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1C(C)(C)C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C39H60N2O6/c1-23(11-15-33(44)41-31(36(46)47)14-16-34(45)40-30-10-8-7-9-27(30)37(2,3)4)26-12-13-28-35-29(18-20-39(26,28)6)38(5)19-17-25(42)21-24(38)22-32(35)43/h7-10,23-26,28-29,31-32,35,42-43H,11-22H2,1-6H3,(H,40,45)(H,41,44)(H,46,47)/t23-,24-,25-,26-,28+,29+,31+,32-,35+,38+,39-/m1/s1
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3.93E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322479
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)cc1
Show InChI InChI=1S/C37H54N2O8/c1-21(5-13-32(43)39-29(34(44)45)12-14-31(42)38-24-8-6-22(7-9-24)35(46)47-4)26-10-11-27-33-28(16-18-37(26,27)3)36(2)17-15-25(40)19-23(36)20-30(33)41/h6-9,21,23,25-30,33,40-41H,5,10-20H2,1-4H3,(H,38,42)(H,39,43)(H,44,45)/t21-,23-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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4.03E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322504
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C36H54N2O7/c1-21(8-12-32(42)38-29(34(43)44)11-13-31(41)37-23-6-5-7-25(20-23)45-4)26-9-10-27-33-28(15-17-36(26,27)3)35(2)16-14-24(39)18-22(35)19-30(33)40/h5-7,20-22,24,26-30,33,39-40H,8-19H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-,24-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1
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4.22E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322489
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C)c1C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C37H56N2O6/c1-21-7-6-8-29(23(21)3)38-33(43)14-12-30(35(44)45)39-32(42)13-9-22(2)26-10-11-27-34-28(16-18-37(26,27)5)36(4)17-15-25(40)19-24(36)20-31(34)41/h6-8,22,24-28,30-31,34,40-41H,9-20H2,1-5H3,(H,38,43)(H,39,42)(H,44,45)/t22-,24-,25-,26-,27+,28+,30+,31-,34+,36+,37-/m1/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322481
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCC(NC(=O)CCC(C)C2CCC3C4C(O)CC5CC(O)CCC5(C)C4CCC23C)C(O)=O)cc1
Show InChI InChI=1S/C38H56N2O8/c1-5-48-36(47)23-7-9-25(10-8-23)39-32(43)15-13-30(35(45)46)40-33(44)14-6-22(2)27-11-12-28-34-29(17-19-38(27,28)4)37(3)18-16-26(41)20-24(37)21-31(34)42/h7-10,22,24,26-31,34,41-42H,5-6,11-21H2,1-4H3,(H,39,43)(H,40,44)(H,45,46)/t22-,24-,26-,27-,28+,29+,30+,31-,34+,37+,38-/m1/s1
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5.16E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322490
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COc1cc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)cc(OC)c1
Show InChI InChI=1S/C37H56N2O8/c1-21(6-10-33(43)39-30(35(44)45)9-11-32(42)38-23-18-25(46-4)20-26(19-23)47-5)27-7-8-28-34-29(13-15-37(27,28)3)36(2)14-12-24(40)16-22(36)17-31(34)41/h18-22,24,27-31,34,40-41H,6-17H2,1-5H3,(H,38,42)(H,39,43)(H,44,45)/t21-,22-,24-,27-,28+,29+,30+,31-,34+,36+,37-/m1/s1
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5.19E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322483
PNG
((2S)-5-(4-(tert-butoxycarbonylamino)phenylamino)-2...)
Show SMILES CC(CCC(=O)NC(CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C40H61N3O8/c1-23(28-12-13-29-35-30(18-20-40(28,29)6)39(5)19-17-27(44)21-24(39)22-32(35)45)7-15-34(47)43-31(36(48)49)14-16-33(46)41-25-8-10-26(11-9-25)42-37(50)51-38(2,3)4/h8-11,23-24,27-32,35,44-45H,7,12-22H2,1-6H3,(H,41,46)(H,42,50)(H,43,47)(H,48,49)/t23-,24-,27-,28-,29+,30+,31+,32-,35+,39+,40-/m1/s1
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5.26E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322505
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COc1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)cc1
Show InChI InChI=1S/C36H54N2O7/c1-21(5-13-32(42)38-29(34(43)44)12-14-31(41)37-23-6-8-25(45-4)9-7-23)26-10-11-27-33-28(16-18-36(26,27)3)35(2)17-15-24(39)19-22(35)20-30(33)40/h6-9,21-22,24,26-30,33,39-40H,5,10-20H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-,24-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1
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6.09E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50375595
PNG
(CHEMBL185878 | Taurochenodeoxycholate)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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6.10E+3n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50375599
PNG
(DEOXYCHOLATE | Deoxycholic Acid | KYBELLA)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50375599
PNG
(DEOXYCHOLATE | Deoxycholic Acid | KYBELLA)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322482
PNG
((2S)-5-(3-(tert-butoxycarbonylamino)phenylamino)-2...)
Show SMILES CC(CCC(=O)NC(CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C40H61N3O8/c1-23(28-11-12-29-35-30(17-19-40(28,29)6)39(5)18-16-27(44)20-24(39)21-32(35)45)10-14-34(47)43-31(36(48)49)13-15-33(46)41-25-8-7-9-26(22-25)42-37(50)51-38(2,3)4/h7-9,22-24,27-32,35,44-45H,10-21H2,1-6H3,(H,41,46)(H,42,50)(H,43,47)(H,48,49)/t23-,24-,27-,28-,29+,30+,31+,32-,35+,39+,40-/m1/s1
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6.53E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322478
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COC(=O)c1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C37H54N2O8/c1-21(8-12-32(43)39-29(34(44)45)11-13-31(42)38-24-7-5-6-22(18-24)35(46)47-4)26-9-10-27-33-28(15-17-37(26,27)3)36(2)16-14-25(40)19-23(36)20-30(33)41/h5-7,18,21,23,25-30,33,40-41H,8-17,19-20H2,1-4H3,(H,38,42)(H,39,43)(H,44,45)/t21-,23-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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7.65E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322488
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1c(C)cccc1C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C37H56N2O6/c1-21(9-13-31(42)38-29(35(44)45)12-14-32(43)39-34-22(2)7-6-8-23(34)3)26-10-11-27-33-28(16-18-37(26,27)5)36(4)17-15-25(40)19-24(36)20-30(33)41/h6-8,21,24-30,33,40-41H,9-20H2,1-5H3,(H,38,42)(H,39,43)(H,44,45)/t21-,24-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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8.07E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50390996
PNG
(CHEMBL2074988)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@H](N1)c1ccccc1
Show InChI InChI=1S/C21H27NO2S/c1-3-5-15-21(4-2)16-25(23,24)19-14-10-9-13-18(19)20(22-21)17-11-7-6-8-12-17/h6-14,20,22H,3-5,15-16H2,1-2H3/t20-,21-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



UCLA and the Wadsworth Veterans Administration Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate accumulation in ASBT-expressing HEK293 cells


Biochemistry 41: 14916-14924 (2002)


Article DOI: 10.1021/bi0205404
BindingDB Entry DOI: 10.7270/Q2RJ4KJP
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322486
PNG
((2S)-5-(4-aminophenylamino)-2-((4R)-4-((3R,7R,8R,9...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(N)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H53N3O6/c1-20(4-12-31(42)38-28(33(43)44)11-13-30(41)37-23-7-5-22(36)6-8-23)25-9-10-26-32-27(15-17-35(25,26)3)34(2)16-14-24(39)18-21(34)19-29(32)40/h5-8,20-21,24-29,32,39-40H,4,9-19,36H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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1.59E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322485
PNG
((2S)-5-(3-aminophenylamino)-2-((4R)-4-((3R,7R,8R,9...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(N)c1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H53N3O6/c1-20(7-11-31(42)38-28(33(43)44)10-12-30(41)37-23-6-4-5-22(36)19-23)25-8-9-26-32-27(14-16-35(25,26)3)34(2)15-13-24(39)17-21(34)18-29(32)40/h4-6,19-21,24-29,32,39-40H,7-18,36H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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1.63E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50375592
PNG
(CHEMBL412272)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
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1.72E+4n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50236230
PNG
(2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322493
PNG
(3-((4S)-4-carboxylato-4-((4R)-4-((3R,7R,8R,9S,10S,...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(c1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52N2O8/c1-20(7-11-31(42)38-28(34(45)46)10-12-30(41)37-23-6-4-5-21(17-23)33(43)44)25-8-9-26-32-27(14-16-36(25,26)3)35(2)15-13-24(39)18-22(35)19-29(32)40/h4-6,17,20,22,24-29,32,39-40H,7-16,18-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)(H,45,46)/t20-,22-,24-,25-,26+,27+,28+,29-,32+,35+,36-/m1/s1
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3.59E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322492
PNG
(2-((S)-4-carboxy-4-((R)-4-((3R,5R,7R,8R,9S,10S,13R...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52N2O8/c1-20(8-12-30(41)38-28(34(45)46)11-13-31(42)37-27-7-5-4-6-23(27)33(43)44)24-9-10-25-32-26(15-17-36(24,25)3)35(2)16-14-22(39)18-21(35)19-29(32)40/h4-7,20-22,24-26,28-29,32,39-40H,8-19H2,1-3H3,(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t20-,21-,22-,24-,25+,26+,28+,29-,32+,35+,36-/m1/s1
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4.04E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322496
PNG
(4-(((4S)-4-carboxylato-4-((4R)-4-((3R,7R,8R,9S,10S...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)NCc1ccc(cc1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C37H54N2O8/c1-21(4-12-32(43)39-29(35(46)47)11-13-31(42)38-20-22-5-7-23(8-6-22)34(44)45)26-9-10-27-33-28(15-17-37(26,27)3)36(2)16-14-25(40)18-24(36)19-30(33)41/h5-8,21,24-30,33,40-41H,4,9-20H2,1-3H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)/t21-,24-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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4.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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4.15E+4n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM53721
PNG
((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
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7.50E+4n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322494
PNG
(4-((4S)-4-carboxylato-4-((4R)-4-((3R,7R,8R,9S,10S,...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(cc1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52N2O8/c1-20(4-12-31(42)38-28(34(45)46)11-13-30(41)37-23-7-5-21(6-8-23)33(43)44)25-9-10-26-32-27(15-17-36(25,26)3)35(2)16-14-24(39)18-22(35)19-29(32)40/h5-8,20,22,24-29,32,39-40H,4,9-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)(H,45,46)/t20-,22-,24-,25-,26+,27+,28+,29-,32+,35+,36-/m1/s1
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1.08E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322495
PNG
(3-(((4S)-4-carboxylato-4-((4R)-4-((3R,7R,8R,9S,10S...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)NCc1cccc(c1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C37H54N2O8/c1-21(7-11-32(43)39-29(35(46)47)10-12-31(42)38-20-22-5-4-6-23(17-22)34(44)45)26-8-9-27-33-28(14-16-37(26,27)3)36(2)15-13-25(40)18-24(36)19-30(33)41/h4-6,17,21,24-30,33,40-41H,7-16,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)/t21-,24-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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1.26E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM50390979
PNG
(BROMOSULFOPHTHALEIN)
Show SMILES Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2
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1.44E+5n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells


Am J Physiol 274: 157-69 (1998)


Article DOI: 10.1152/ajpgi.1998.274.1.G157
BindingDB Entry DOI: 10.7270/Q2B859C1
More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM77055
PNG
(US10093697, 8. | US9694018, 8)
Show SMILES CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1
Show InChI InChI=1S/C37H48N4O9S2/c1-5-7-18-37(19-8-6-2)23-41(26-12-10-9-11-13-26)28-20-30(51-4)29(21-31(28)52(48,49)40-37)50-22-32(44)38-34(25-14-16-27(43)17-15-25)35(45)39-33(24(3)42)36(46)47/h9-17,20-21,24,33-34,40,42-43H,5-8,18-19,22-23H2,1-4H3,(H,38,44)(H,39,45)(H,46,47)/t24-,33+,34-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



TBA

US Patent


Assay Description
ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was...


US Patent US10093697 (2018)

More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM77086
PNG
(US10093697, 13. | US9694018, 13)
Show SMILES CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1
Show InChI InChI=1S/C38H50N4O8S2/c1-6-8-19-38(20-9-7-2)24-42(27-13-11-10-12-14-27)29-21-31(51-5)30(22-32(29)52(48,49)41-38)50-23-33(44)39-35(26-15-17-28(43)18-16-26)36(45)40-34(25(3)4)37(46)47/h10-18,21-22,25,34-35,41,43H,6-9,19-20,23-24H2,1-5H3,(H,39,44)(H,40,45)(H,46,47)/t34-,35+/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



TBA

US Patent


Assay Description
ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was...


US Patent US10093697 (2018)

More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM77080
PNG
(US10093697, 11. | US9694018, 11)
Show SMILES CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)C1
Show InChI InChI=1S/C37H47N3O8S2/c1-5-8-19-37(18-6-2)23-40(26-12-10-9-11-13-26)29-20-31(49-4)30(21-32(29)50(46,47)24-37)48-22-33(42)39-34(25-14-16-27(41)17-15-25)35(43)38-28(7-3)36(44)45/h9-17,20-21,28,34,41H,5-8,18-19,22-24H2,1-4H3,(H,38,43)(H,39,42)(H,44,45)/t28-,34+,37?/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



TBA

US Patent


Assay Description
ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was...


US Patent US10093697 (2018)

More data for this
Ligand-Target Pair
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))
BDBM77040
PNG
(US10093697, 5. | US9694018, 5)
Show SMILES CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1
Show InChI InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



TBA

US Patent


Assay Description
ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was...


US Patent US10093697 (2018)

More data for this
Ligand-Target Pair
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