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Found 325 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent bile acid transporter (iBAT)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50375599
PNG
(DEOXYCHOLATE | Deoxycholic Acid)
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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50375599
PNG
(DEOXYCHOLATE | Deoxycholic Acid)
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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(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)

More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50140282
PNG
(1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1)N(C)C
Show InChI InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50172695
PNG
(CHEMBL370103 | {2-[3-((4R,5R)-3,3-Dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NCC(=O)NCC(O)=O)c1)N(C)C
Show InChI InChI=1S/C30H43N3O6S/c1-5-7-14-30(15-8-6-2)20-40(38,39)25-13-12-23(33(3)4)17-24(25)28(29(30)37)21-10-9-11-22(16-21)31-18-26(34)32-19-27(35)36/h9-13,16-17,28-29,31,37H,5-8,14-15,18-20H2,1-4H3,(H,32,34)(H,35,36)/t28-,29-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50172649
PNG
(1-{5-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C
Show InChI InChI=1S/C37H58N3O4S/c1-5-7-18-37(19-8-6-2)29-45(42,43)34-17-14-31(38(3)4)28-33(34)35(36(37)41)30-12-15-32(16-13-30)44-27-11-9-10-23-40-24-20-39(21-25-40)22-26-40/h12-17,28,35-36,41H,5-11,18-27,29H2,1-4H3/q+1/t35-,36-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent bile acid transporter (iBAT)


(Homo sapiens (Human))
BDBM50172702
PNG
(4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cc[n+](C)cc2)cc1)N(C)C
Show InChI InChI=1S/C33H45N2O4S/c1-6-8-18-33(19-9-7-2)24-40(37,38)30-15-12-27(34(3)4)22-29(30)31(32(33)36)26-10-13-28(14-11-26)39-23-25-16-20-35(5)21-17-25/h10-17,20-22,31-32,36H,6-9,18-19,23-24H2,1-5H3/q+1/t31-,32-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT


Citation and Details
More data for this
Ligand-Target Pair
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