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PubMed code 16134950

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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 sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172608
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-9-methoxy-5-(4...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C
Show InChI InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)26-23(17-21(29(3)4)18-24(26)34-6)25(27(28)30)20-11-13-22(33-5)14-12-20/h11-14,17-18,25,27,30H,7-10,15-16,19H2,1-6H3/t25-,27-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370665
PNG
(CHEMBL555024)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r|
Show InChI InChI=1S/C38H63N2O6S/c1-8-13-21-38(22-14-9-2)30-47(42,43)35-20-17-32(39(6)7)29-34(35)36(37(38)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36-37,41H,8-14,21-28,30H2,1-7H3/q+1/t36-,37-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172631
PNG
((3S,4R,5R)-3-Butyl-7-dimethylamino-3-ethyl-1,1-dio...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C
Show InChI InChI=1S/C24H33NO3S/c1-5-7-15-24(6-2)17-29(27,28)21-14-13-19(25(3)4)16-20(21)22(23(24)26)18-11-9-8-10-12-18/h8-14,16,22-23,26H,5-7,15,17H2,1-4H3/t22-,23-,24-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50140283
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-methoxy-p...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C
Show InChI InChI=1S/C27H39NO4S/c1-6-8-16-27(17-9-7-2)19-33(30,31)24-15-12-21(28(3)4)18-23(24)25(26(27)29)20-10-13-22(32-5)14-11-20/h10-15,18,25-26,29H,6-9,16-17,19H2,1-5H3/t25-,26-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172617
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-fluoro-ph...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(F)cc1)N(C)C
Show InChI InChI=1S/C26H36FNO3S/c1-5-7-15-26(16-8-6-2)18-32(30,31)23-14-13-21(28(3)4)17-22(23)24(25(26)29)19-9-11-20(27)12-10-19/h9-14,17,24-25,29H,5-8,15-16,18H2,1-4H3/t24-,25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172641
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-ph...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C
Show InChI InChI=1S/C26H37NO3S/c1-5-7-16-26(17-8-6-2)19-31(29,30)23-15-14-21(27(3)4)18-22(23)24(25(26)28)20-12-10-9-11-13-20/h9-15,18,24-25,28H,5-8,16-17,19H2,1-4H3/t24-,25-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172623
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-5-(4-fluoro-phenyl)-7-m...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(SC)cc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C23H29FO3S2/c1-4-6-13-23(5-2)15-29(26,27)20-12-11-18(28-3)14-19(20)21(22(23)25)16-7-9-17(24)10-8-16/h7-12,14,21-22,25H,4-6,13,15H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172610
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-5-(4-fluoro-phenyl)-7-m...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(C)cc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C23H29FO3S/c1-4-6-13-23(5-2)15-28(26,27)20-12-7-16(3)14-19(20)21(22(23)25)17-8-10-18(24)11-9-17/h7-12,14,21-22,25H,4-6,13,15H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172637
PNG
((4R,5R)-3,3-Dibutyl-5-(4-fluoro-phenyl)-7-methyl-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(C)cc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FO3S/c1-4-6-14-25(15-7-5-2)17-30(28,29)22-13-8-18(3)16-21(22)23(24(25)27)19-9-11-20(26)12-10-19/h8-13,16,23-24,27H,4-7,14-15,17H2,1-3H3/t23-,24-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172632
PNG
((4R,5R)-3,3-Dibutyl-5-(4-fluoro-phenyl)-7-methoxy-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(OC)cc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FO4S/c1-4-6-14-25(15-7-5-2)17-31(28,29)22-13-12-20(30-3)16-21(22)23(24(25)27)18-8-10-19(26)11-9-18/h8-13,16,23-24,27H,4-7,14-15,17H2,1-3H3/t23-,24-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172636
PNG
((4R,5R)-7-Amino-3,3-dibutyl-1,1-dioxo-5-phenyl-2,3...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(N)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C24H33NO3S/c1-3-5-14-24(15-6-4-2)17-29(27,28)21-13-12-19(25)16-20(21)22(23(24)26)18-10-8-7-9-11-18/h7-13,16,22-23,26H,3-6,14-15,17,25H2,1-2H3/t22-,23-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172633
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-p...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(OC)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C23H30O4S/c1-4-6-14-23(5-2)16-28(25,26)20-13-12-18(27-3)15-19(20)21(22(23)24)17-10-8-7-9-11-17/h7-13,15,21-22,24H,4-6,14,16H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172612
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-5-(4-fluoro-phenyl)-1,1...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(F)cc1)C1CCNC1
Show InChI InChI=1S/C26H34FNO3S/c1-3-5-13-26(4-2)17-32(30,31)23-11-8-19(20-12-14-28-16-20)15-22(23)24(25(26)29)18-6-9-21(27)10-7-18/h6-11,15,20,24-25,28-29H,3-5,12-14,16-17H2,1-2H3/t20?,24-,25-,26-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172609
PNG
((3S,4R,5R)-7-Amino-3-butyl-3-ethyl-1,1-dioxo-5-phe...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C22H29NO3S/c1-3-5-13-22(4-2)15-27(25,26)19-12-11-17(23)14-18(19)20(21(22)24)16-9-7-6-8-10-16/h6-12,14,20-21,24H,3-5,13,15,23H2,1-2H3/t20-,21-,22-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172603
PNG
((3S,4R,5R)-7-Bromo-3-butyl-3-ethyl-5-(3-methoxy-ph...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(Br)cc2[C@H]([C@H]1O)c1cccc(OC)c1
Show InChI InChI=1S/C23H29BrO4S/c1-4-6-12-23(5-2)15-29(26,27)20-11-10-17(24)14-19(20)21(22(23)25)16-8-7-9-18(13-16)28-3/h7-11,13-14,21-22,25H,4-6,12,15H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172615
PNG
(((3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)[N+](C)(C)C
Show InChI InChI=1S/C25H36NO3S/c1-6-8-16-25(7-2)18-30(28,29)22-15-14-20(26(3,4)5)17-21(22)23(24(25)27)19-12-10-9-11-13-19/h9-15,17,23-24,27H,6-8,16,18H2,1-5H3/q+1/t23-,24-,25-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172629
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(O)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C22H28O4S/c1-3-5-13-22(4-2)15-27(25,26)19-14-17(23)11-12-18(19)20(21(22)24)16-9-7-6-8-10-16/h6-12,14,20-21,23-24H,3-5,13,15H2,1-2H3/t20-,21-,22-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172640
PNG
(CHEMBL197938 | N-((3S,4R,5R)-3-Butyl-3-ethyl-4-hyd...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NC(C)=O)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C24H31NO4S/c1-4-6-14-24(5-2)16-30(28,29)21-13-12-19(25-17(3)26)15-20(21)22(23(24)27)18-10-8-7-9-11-18/h7-13,15,22-23,27H,4-6,14,16H2,1-3H3,(H,25,26)/t22-,23-,24-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172611
PNG
((4R,5R)-3,3-Dibutyl-8-dimethylamino-1,1-dioxo-5-ph...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2cc(ccc2[C@H]([C@H]1O)c1ccccc1)N(C)C
Show InChI InChI=1S/C26H37NO3S/c1-5-7-16-26(17-8-6-2)19-31(29,30)23-18-21(27(3)4)14-15-22(23)24(25(26)28)20-12-10-9-11-13-20/h9-15,18,24-25,28H,5-8,16-17,19H2,1-4H3/t24-,25-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172625
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-8-methoxy-1,1-dioxo-5-p...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C23H30O4S/c1-4-6-14-23(5-2)16-28(25,26)20-15-18(27-3)12-13-19(20)21(22(23)24)17-10-8-7-9-11-17/h7-13,15,21-22,24H,4-6,14,16H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172619
PNG
((4R,5R)-3,3-Dibutyl-9-fluoro-5-(4-fluoro-phenyl)-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(F)cccc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C24H30F2O3S/c1-3-5-14-24(15-6-4-2)16-30(28,29)22-19(8-7-9-20(22)26)21(23(24)27)17-10-12-18(25)13-11-17/h7-13,21,23,27H,3-6,14-16H2,1-2H3/t21-,23-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172618
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-5-(3-methoxy-phenyl)-1,...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OC)c1)-c1ccccc1
Show InChI InChI=1S/C29H34O4S/c1-4-6-17-29(5-2)20-34(31,32)26-16-15-22(21-11-8-7-9-12-21)19-25(26)27(28(29)30)23-13-10-14-24(18-23)33-3/h7-16,18-19,27-28,30H,4-6,17,20H2,1-3H3/t27-,28-,29-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172634
PNG
((4R,5R)-3,3-Dibutyl-9-dimethylamino-5-(4-fluoro-ph...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(cccc2N(C)C)[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C26H36FNO3S/c1-5-7-16-26(17-8-6-2)18-32(30,31)24-21(10-9-11-22(24)28(3)4)23(25(26)29)19-12-14-20(27)15-13-19/h9-15,23,25,29H,5-8,16-18H2,1-4H3/t23-,25-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172604
PNG
((4R,5R)-3,3-Dibutyl-8-methoxy-1,1-dioxo-5-phenyl-2...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2cc(OC)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C25H34O4S/c1-4-6-15-25(16-7-5-2)18-30(27,28)22-17-20(29-3)13-14-21(22)23(24(25)26)19-11-9-8-10-12-19/h8-14,17,23-24,26H,4-7,15-16,18H2,1-3H3/t23-,24-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172622
PNG
(((4R,5R)-3,3-Dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)[N+](C)(C)C
Show InChI InChI=1S/C27H40NO3S/c1-6-8-17-27(18-9-7-2)20-32(30,31)24-16-15-22(28(3,4)5)19-23(24)25(26(27)29)21-13-11-10-12-14-21/h10-16,19,25-26,29H,6-9,17-18,20H2,1-5H3/q+1/t25-,26-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172628
PNG
((4R,5R)-7-Amino-1,1-dioxo-5-phenyl-3,3-dipropyl-2,...)
Show SMILES CCCC1(CCC)CS(=O)(=O)c2ccc(N)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C22H29NO3S/c1-3-12-22(13-4-2)15-27(25,26)19-11-10-17(23)14-18(19)20(21(22)24)16-8-6-5-7-9-16/h5-11,14,20-21,24H,3-4,12-13,15,23H2,1-2H3/t20-,21-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172639
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-7-hydroxyamino-1,1-diox...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NO)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C22H29NO4S/c1-3-5-13-22(4-2)15-28(26,27)19-12-11-17(23-25)14-18(19)20(21(22)24)16-9-7-6-8-10-16/h6-12,14,20-21,23-25H,3-5,13,15H2,1-2H3/t20-,21-,22-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172613
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C22H28O3S/c1-3-5-15-22(4-2)16-26(24,25)19-14-10-9-13-18(19)20(21(22)23)17-11-7-6-8-12-17/h6-14,20-21,23H,3-5,15-16H2,1-2H3/t20-,21-,22-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172642
PNG
(CHEMBL373284 | Hexanoic acid ((3S,4R,5R)-3-butyl-3...)
Show SMILES CCCCCC(=O)Nc1ccc2c(c1)[C@H]([C@@H](O)[C@](CC)(CCCC)CS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H39NO4S/c1-4-7-10-15-25(30)29-22-16-17-24-23(19-22)26(21-13-11-9-12-14-21)27(31)28(6-3,18-8-5-2)20-34(24,32)33/h9,11-14,16-17,19,26-27,31H,4-8,10,15,18,20H2,1-3H3,(H,29,30)/t26-,27-,28-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172616
PNG
((4R,5R)-5-(4-Fluoro-phenyl)-7-methyl-1,1-dioxo-3,3...)
Show SMILES CCCCCC1(CCCCC)CS(=O)(=O)c2ccc(C)cc2[C@H]([C@H]1O)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FO3S/c1-4-6-8-16-27(17-9-7-5-2)19-32(30,31)24-15-10-20(3)18-23(24)25(26(27)29)21-11-13-22(28)14-12-21/h10-15,18,25-26,29H,4-9,16-17,19H2,1-3H3/t25-,26-/m1/s1
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n/an/a 318n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172643
PNG
(((3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C30H35NO5S/c1-3-5-18-30(4-2)21-37(34,35)26-17-16-24(31-29(33)36-20-22-12-8-6-9-13-22)19-25(26)27(28(30)32)23-14-10-7-11-15-23/h6-17,19,27-28,32H,3-5,18,20-21H2,1-2H3,(H,31,33)/t27-,28-,30-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172605
PNG
((4R,5S)-7-Bromo-5-(2-bromo-phenyl)-3,3-dibutyl-1,1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(Br)cc2[C@H]([C@H]1O)c1ccccc1Br
Show InChI InChI=1S/C24H30Br2O3S/c1-3-5-13-24(14-6-4-2)16-30(28,29)21-12-11-17(25)15-19(21)22(23(24)27)18-9-7-8-10-20(18)26/h7-12,15,22-23,27H,3-6,13-14,16H2,1-2H3/t22-,23-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172606
PNG
(CHEMBL197838 | N-((3S,4R,5R)-3-Butyl-3-ethyl-4-hyd...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C23H31NO5S2/c1-4-6-14-23(5-2)16-31(28,29)20-13-12-18(24-30(3,26)27)15-19(20)21(22(23)25)17-10-8-7-9-11-17/h7-13,15,21-22,24-25H,4-6,14,16H2,1-3H3/t21-,22-,23-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172627
PNG
(((4R,5R)-3,3-Dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C32H39NO5S/c1-3-5-19-32(20-6-4-2)23-39(36,37)28-18-17-26(33-31(35)38-22-24-13-9-7-10-14-24)21-27(28)29(30(32)34)25-15-11-8-12-16-25/h7-18,21,29-30,34H,3-6,19-20,22-23H2,1-2H3,(H,33,35)/t29-,30-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172607
PNG
(((3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C27H37NO5S/c1-6-8-16-27(7-2)18-34(31,32)22-15-14-20(28-25(30)33-26(3,4)5)17-21(22)23(24(27)29)19-12-10-9-11-13-19/h9-15,17,23-24,29H,6-8,16,18H2,1-5H3,(H,28,30)/t23-,24-,27-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172621
PNG
((3S,4R,5R)-3-Butyl-3-ethyl-7-hexylamino-1,1-dioxo-...)
Show SMILES CCCCCCNc1ccc2c(c1)[C@H]([C@@H](O)[C@](CC)(CCCC)CS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H41NO3S/c1-4-7-9-13-19-29-23-16-17-25-24(20-23)26(22-14-11-10-12-15-22)27(30)28(6-3,18-8-5-2)21-33(25,31)32/h10-12,14-17,20,26-27,29-30H,4-9,13,18-19,21H2,1-3H3/t26-,27-,28-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172620
PNG
((4R,5R)-7-Benzylamino-3,3-dibutyl-1,1-dioxo-5-phen...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(NCc3ccccc3)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C31H39NO3S/c1-3-5-19-31(20-6-4-2)23-36(34,35)28-18-17-26(32-22-24-13-9-7-10-14-24)21-27(28)29(30(31)33)25-15-11-8-12-16-25/h7-18,21,29-30,32-33H,3-6,19-20,22-23H2,1-2H3/t29-,30-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172645
PNG
((3S,4S,5S)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H]([C@@H]1O)c1ccccc1
Show InChI InChI=1S/C22H28O3S/c1-3-5-15-22(4-2)16-26(24,25)19-14-10-9-13-18(19)20(21(22)23)17-11-7-6-8-12-17/h6-14,20-21,23H,3-5,15-16H2,1-2H3/t20-,21-,22+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172638
PNG
((3S,4R,5R)-3-Butyl-7-(N-hydroxy,N-ter-butoxycarbon...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H37NO6S/c1-6-8-16-27(7-2)18-35(32,33)22-15-14-20(28(31)25(30)34-26(3,4)5)17-21(22)23(24(27)29)19-12-10-9-11-13-19/h9-15,17,23-24,29,31H,6-8,16,18H2,1-5H3/t23-,24-,27-/m1/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172630
PNG
((4R,5R)-7-Amino-3,3-diethyl-1,1-dioxo-5-phenyl-2,3...)
Show SMILES CCC1(CC)CS(=O)(=O)c2ccc(N)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C20H25NO3S/c1-3-20(4-2)13-25(23,24)17-11-10-15(21)12-16(17)18(19(20)22)14-8-6-5-7-9-14/h5-12,18-19,22H,3-4,13,21H2,1-2H3/t18-,19-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172626
PNG
((3S,4S,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@H]([C@@H]1O)c1ccccc1
Show InChI InChI=1S/C22H28O3S/c1-3-5-15-22(4-2)16-26(24,25)19-14-10-9-13-18(19)20(21(22)23)17-11-7-6-8-12-17/h6-14,20-21,23H,3-5,15-16H2,1-2H3/t20-,21+,22-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172614
PNG
((3S,4R,5R)-3-Butyl-8-dec-9-enyloxy-3-ethyl-1,1-dio...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCCCCCCC=C)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C32H46O4S/c1-4-7-9-10-11-12-13-17-23-36-27-20-21-28-29(24-27)37(34,35)25-32(6-3,22-8-5-2)31(33)30(28)26-18-15-14-16-19-26/h4,14-16,18-21,24,30-31,33H,1,5-13,17,22-23,25H2,2-3H3/t30-,31-,32-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172602
PNG
((2-{2-[2-((3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCOCCOCC[N+](C)(C)C)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C31H48NO6S/c1-6-8-16-31(7-2)24-39(34,35)28-23-26(38-22-21-37-20-19-36-18-17-32(3,4)5)14-15-27(28)29(30(31)33)25-12-10-9-11-13-25/h9-15,23,29-30,33H,6-8,16-22,24H2,1-5H3/q+1/t29-,30-,31-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172644
PNG
(CHEMBL196242 | [6-((3S,4R,5R)-3-Butyl-3-ethyl-4-hy...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCCCC[N+](C)(C)C)ccc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C31H48NO4S/c1-6-8-20-31(7-2)24-37(34,35)28-23-26(36-22-15-10-9-14-21-32(3,4)5)18-19-27(28)29(30(31)33)25-16-12-11-13-17-25/h11-13,16-19,23,29-30,33H,6-10,14-15,20-22,24H2,1-5H3/q+1/t29-,30-,31-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172635
PNG
((4R,5R)-7-Amino-3,3-dimethyl-1,1-dioxo-5-phenyl-2,...)
Show SMILES CC1(C)CS(=O)(=O)c2ccc(N)cc2[C@H]([C@H]1O)c1ccccc1
Show InChI InChI=1S/C18H21NO3S/c1-18(2)11-23(21,22)15-9-8-13(19)10-14(15)16(17(18)20)12-6-4-3-5-7-12/h3-10,16-17,20H,11,19H2,1-2H3/t16-,17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


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

J Med Chem 48: 5837-52 (2005)


Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%