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PubMed code 16134951

Compile data set for download or QSAR
Found 67 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))		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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370667
PNG
(CHEMBL555246)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C |r|
Show InChI InChI=1S/C37H59N3O4S/c1-8-13-23-37(24-14-9-2)28-45(43,44)33-22-21-31(39(6)7)27-32(33)35(36(37)42)29-18-17-19-30(26-29)38-34(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,35-36,42H,8-16,20,23-25,28H2,1-7H3/p+1/t35-,36-/m1/s1
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n/an/a 0.760n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172668
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+]3ccccc3)cc2)cc1)N(C)C
Show InChI InChI=1S/C39H49N2O4S/c1-5-7-22-39(23-8-6-2)29-46(43,44)36-21-18-33(40(3)4)26-35(36)37(38(39)42)32-16-19-34(20-17-32)45-28-31-14-12-30(13-15-31)27-41-24-10-9-11-25-41/h9-21,24-26,37-38,42H,5-8,22-23,27-29H2,1-4H3/q+1/t37-,38-/m1/s1
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n/an/a 1n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172709
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(OCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C
Show InChI InChI=1S/C36H56N3O4S/c1-5-7-17-36(18-8-6-2)28-44(41,42)33-16-13-30(37(3)4)27-32(33)34(35(36)40)29-11-14-31(15-12-29)43-26-10-9-22-39-23-19-38(20-24-39)21-25-39/h11-16,27,34-35,40H,5-10,17-26,28H2,1-4H3/q+1/t34-,35-/m1/s1
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n/an/a 1n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370669
PNG
(CHEMBL555022)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OCCCCC[N+](CC)(CC)CC)c1)N(C)C |r|
Show InChI InChI=1S/C37H61N2O4S/c1-8-13-23-37(24-14-9-2)29-44(41,42)34-22-21-31(38(6)7)28-33(34)35(36(37)40)30-19-18-20-32(27-30)43-26-17-15-16-25-39(10-3,11-4)12-5/h18-22,27-28,35-36,40H,8-17,23-26,29H2,1-7H3/q+1/t35-,36-/m1/s1
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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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172667
PNG
(4-[3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2C(C1O)c1cccc(c1)[NH+]=c1ccn(C)cc1)N(C)C |(10.23,3.17,;10.24,1.63,;8.91,.86,;8.92,-.68,;7.59,-1.45,;8.92,-2.22,;10.25,-1.45,;11.58,-2.22,;12.91,-1.45,;6.91,-.05,;5.4,.26,;4.3,1.35,;6.16,1.6,;4.18,-.73,;2.85,.04,;1.52,-.73,;1.52,-2.27,;2.85,-3.04,;4.2,-2.27,;5.42,-3.23,;6.94,-2.88,;8.03,-3.97,;5.09,-4.74,;3.62,-5.19,;3.3,-6.7,;4.43,-7.73,;5.91,-7.26,;6.23,-5.76,;7.05,-8.29,;8.59,-8.29,;9.36,-9.62,;10.9,-9.62,;11.67,-8.29,;13.68,-8.27,;10.88,-6.96,;9.34,-6.96,;.19,-3.04,;-1.16,-2.27,;.17,-4.58,)|
Show InChI InChI=1S/C32H43N3O3S/c1-6-8-17-32(18-9-7-2)23-39(37,38)29-14-13-27(34(3)4)22-28(29)30(31(32)36)24-11-10-12-26(21-24)33-25-15-19-35(5)20-16-25/h10-16,19-22,30-31,36H,6-9,17-18,23H2,1-5H3/p+1
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n/an/a 2n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370670
PNG
(CHEMBL540126)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+](CC)(CC)CC)cc1)N(C)C |r|
Show InChI InChI=1S/C37H61N2O4S/c1-8-13-24-37(25-14-9-2)29-44(41,42)34-23-20-31(38(6)7)28-33(34)35(36(37)40)30-18-21-32(22-19-30)43-27-17-15-16-26-39(10-3,11-4)12-5/h18-23,28,35-36,40H,8-17,24-27,29H2,1-7H3/q+1/t35-,36-/m1/s1
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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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172681
PNG
((Carboxymethyl-{4-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(CN(CC(O)=O)CC(O)=O)cc2)cc1)N(C)C
Show InChI InChI=1S/C38H50N2O8S/c1-5-7-19-38(20-8-6-2)26-49(46,47)33-18-15-30(39(3)4)21-32(33)36(37(38)45)29-13-16-31(17-14-29)48-25-28-11-9-27(10-12-28)22-40(23-34(41)42)24-35(43)44/h9-18,21,36-37,45H,5-8,19-20,22-26H2,1-4H3,(H,41,42)(H,43,44)/t36-,37-/m1/s1
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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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172652
PNG
((4R,5R)-5-(3-Amino-phenyl)-3,3-dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(N)c1)N(C)C
Show InChI InChI=1S/C26H38N2O3S/c1-5-7-14-26(15-8-6-2)18-32(30,31)23-13-12-21(28(3)4)17-22(23)24(25(26)29)19-10-9-11-20(27)16-19/h9-13,16-17,24-25,29H,5-8,14-15,18,27H2,1-4H3/t24-,25-/m1/s1
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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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172661
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-hydroxy-p...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(O)cc1)N(C)C
Show InChI InChI=1S/C26H37NO4S/c1-5-7-15-26(16-8-6-2)18-32(30,31)23-14-11-20(27(3)4)17-22(23)24(25(26)29)19-9-12-21(28)13-10-19/h9-14,17,24-25,28-29H,5-8,15-16,18H2,1-4H3/t24-,25-/m1/s1
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n/an/a 2.20n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172690
PNG
((Carboxymethyl-{5-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCCN(CC(O)=O)CC(O)=O)cc1)N(C)C
Show InChI InChI=1S/C35H52N2O8S/c1-5-7-18-35(19-8-6-2)25-46(43,44)30-17-14-27(36(3)4)22-29(30)33(34(35)42)26-12-15-28(16-13-26)45-21-11-9-10-20-37(23-31(38)39)24-32(40)41/h12-17,22,33-34,42H,5-11,18-21,23-25H2,1-4H3,(H,38,39)(H,40,41)/t33-,34-/m1/s1
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n/an/a 2.30n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172675
PNG
(1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[NH+]2CCCN(C)CCN(C)CCCN(C)CC2)c(F)c1)N(C)C
Show InChI InChI=1S/C45H76FN5O6S/c1-8-10-18-45(19-11-9-2)36-58(53,54)42-17-15-38(47(3)4)35-39(42)43(44(45)52)37-14-16-41(40(46)34-37)57-33-32-56-31-30-55-29-28-51-23-13-22-49(6)25-24-48(5)20-12-21-50(7)26-27-51/h14-17,34-35,43-44,52H,8-13,18-33,36H2,1-7H3/p+1/t43-,44-/m1/s1
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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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
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



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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172700
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-fluoro-4-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)c(F)c1)N(C)C
Show InChI InChI=1S/C27H38FNO4S/c1-6-8-14-27(15-9-7-2)18-34(31,32)24-13-11-20(29(3)4)17-21(24)25(26(27)30)19-10-12-23(33-5)22(28)16-19/h10-13,16-17,25-26,30H,6-9,14-15,18H2,1-5H3/t25-,26-/m1/s1
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n/an/a 3.60n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172680
PNG
(CHEMBL426152 | [3-((2R,3R)-3,3-Dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CS(O)(=O)=O)c1)N(C)C
Show InChI InChI=1S/C27H39NO6S2/c1-5-7-14-27(15-8-6-2)19-35(30,31)24-13-12-22(28(3)4)17-23(24)25(26(27)29)21-11-9-10-20(16-21)18-36(32,33)34/h9-13,16-17,25-26,29H,5-8,14-15,18-19H2,1-4H3,(H,32,33,34)/t25-,26-/m1/s1
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n/an/a 3.70n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172706
PNG
(1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+]23CCN(CC2)CC3)cc1)N(C)C
Show InChI InChI=1S/C38H60N3O6S/c1-5-7-15-38(16-8-6-2)30-48(43,44)35-14-11-32(39(3)4)29-34(35)36(37(38)42)31-9-12-33(13-10-31)47-28-27-46-26-25-45-24-23-41-20-17-40(18-21-41)19-22-41/h9-14,29,36-37,42H,5-8,15-28,30H2,1-4H3/q+1/t36-,37-/m1/s1
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n/an/a 4n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172688
PNG
(CHEMBL194420 | [2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](C)(C)C)cc1)N(C)C
Show InChI InChI=1S/C35H57N2O6S/c1-8-10-18-35(19-11-9-2)27-44(39,40)32-17-14-29(36(3)4)26-31(32)33(34(35)38)28-12-15-30(16-13-28)43-25-24-42-23-22-41-21-20-37(5,6)7/h12-17,26,33-34,38H,8-11,18-25,27H2,1-7H3/q+1/t33-,34-/m1/s1
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n/an/a 4n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172653
PNG
(1-{3-[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(OCCC[N+]23CCN(CC2)CC3)cc1)N(C)C
Show InChI InChI=1S/C35H54N3O4S/c1-5-7-16-35(17-8-6-2)27-43(40,41)32-15-12-29(36(3)4)26-31(32)33(34(35)39)28-10-13-30(14-11-28)42-25-9-21-38-22-18-37(19-23-38)20-24-38/h10-15,26,33-34,39H,5-9,16-25,27H2,1-4H3/q+1/t33-,34-/m1/s1
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n/an/a 4n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172650
PNG
((Carboxymethyl-{6-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cccc(CN(CC(O)=O)CC(O)=O)n2)cc1)N(C)C
Show InChI InChI=1S/C37H49N3O8S/c1-5-7-18-37(19-8-6-2)25-49(46,47)32-17-14-29(39(3)4)20-31(32)35(36(37)45)26-12-15-30(16-13-26)48-24-28-11-9-10-27(38-28)21-40(22-33(41)42)23-34(43)44/h9-17,20,35-36,45H,5-8,18-19,21-25H2,1-4H3,(H,41,42)(H,43,44)/t35-,36-/m1/s1
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n/an/a 4n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172671
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-hydroxyme...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CO)c1)N(C)C
Show InChI InChI=1S/C27H39NO4S/c1-5-7-14-27(15-8-6-2)19-33(31,32)24-13-12-22(28(3)4)17-23(24)25(26(27)30)21-11-9-10-20(16-21)18-29/h9-13,16-17,25-26,29-30H,5-8,14-15,18-19H2,1-4H3/t25-,26-/m1/s1
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n/an/a 4.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172655
PNG
((4R,5S)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-py...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccn1)N(C)C
Show InChI InChI=1S/C25H36N2O3S/c1-5-7-14-25(15-8-6-2)18-31(29,30)22-13-12-19(27(3)4)17-20(22)23(24(25)28)21-11-9-10-16-26-21/h9-13,16-17,23-24,28H,5-8,14-15,18H2,1-4H3/t23-,24+/m0/s1
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n/an/a 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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172701
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-th...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccsc1)N(C)C
Show InChI InChI=1S/C24H35NO3S2/c1-5-7-12-24(13-8-6-2)17-30(27,28)21-10-9-19(25(3)4)15-20(21)22(23(24)26)18-11-14-29-16-18/h9-11,14-16,22-23,26H,5-8,12-13,17H2,1-4H3/t22-,23-/m1/s1
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n/an/a 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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370671
PNG
(CHEMBL540128)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r|
Show InChI InChI=1S/C36H59N2O5S/c1-8-13-21-36(22-14-9-2)28-44(40,41)33-20-17-30(37(6)7)27-32(33)34(35(36)39)29-15-18-31(19-16-29)43-26-25-42-24-23-38(10-3,11-4)12-5/h15-20,27,34-35,39H,8-14,21-26,28H2,1-7H3/q+1/t34-,35-/m1/s1
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n/an/a 5.70n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172663
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+](CC)cc2)cc1)N(C)C
Show InChI InChI=1S/C34H47N2O4S/c1-6-9-19-34(20-10-7-2)25-41(38,39)31-16-13-28(35(4)5)23-30(31)32(33(34)37)27-11-14-29(15-12-27)40-24-26-17-21-36(8-3)22-18-26/h11-18,21-23,32-33,37H,6-10,19-20,24-25H2,1-5H3/q+1/t32-,33-/m1/s1
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n/an/a 6n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
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 6.80n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370666
PNG
(CHEMBL555245)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OCC[N+](CC)(CC)CC)c1)N(C)C |r|
Show InChI InChI=1S/C34H55N2O4S/c1-8-13-20-34(21-14-9-2)26-41(38,39)31-19-18-28(35(6)7)25-30(31)32(33(34)37)27-16-15-17-29(24-27)40-23-22-36(10-3,11-4)12-5/h15-19,24-25,32-33,37H,8-14,20-23,26H2,1-7H3/q+1/t32-,33-/m1/s1
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n/an/a 7n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172656
PNG
(3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(c1)C(=O)OC)N(C)C
Show InChI InChI=1S/C28H39NO5S/c1-6-8-15-28(16-9-7-2)19-35(32,33)24-14-13-22(29(3)4)18-23(24)25(26(28)30)20-11-10-12-21(17-20)27(31)34-5/h10-14,17-18,25-26,30H,6-9,15-16,19H2,1-5H3/t25-,26-/m1/s1
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n/an/a 7n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172674
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-hydroxy-p...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(O)c1)N(C)C
Show InChI InChI=1S/C26H37NO4S/c1-5-7-14-26(15-8-6-2)18-32(30,31)23-13-12-20(27(3)4)17-22(23)24(25(26)29)19-10-9-11-21(28)16-19/h9-13,16-17,24-25,28-29H,5-8,14-15,18H2,1-4H3/t24-,25-/m1/s1
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n/an/a 7.30n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172678
PNG
(1-[3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(C[n+]2ccccc2)c1)N(C)C
Show InChI InChI=1S/C32H43N2O3S/c1-5-7-17-32(18-8-6-2)24-38(36,37)29-16-15-27(33(3)4)22-28(29)30(31(32)35)26-14-12-13-25(21-26)23-34-19-10-9-11-20-34/h9-16,19-22,30-31,35H,5-8,17-18,23-24H2,1-4H3/q+1/t30-,31-/m1/s1
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n/an/a 7.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172687
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-py...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccnc1)N(C)C
Show InChI InChI=1S/C25H36N2O3S/c1-5-7-13-25(14-8-6-2)18-31(29,30)22-12-11-20(27(3)4)16-21(22)23(24(25)28)19-10-9-15-26-17-19/h9-12,15-17,23-24,28H,5-8,13-14,18H2,1-4H3/t23-,24-/m1/s1
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n/an/a 7.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172693
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-py...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccncc1)N(C)C
Show InChI InChI=1S/C25H36N2O3S/c1-5-7-13-25(14-8-6-2)18-31(29,30)22-10-9-20(27(3)4)17-21(22)23(24(25)28)19-11-15-26-16-12-19/h9-12,15-17,23-24,28H,5-8,13-14,18H2,1-4H3/t23-,24-/m1/s1
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n/an/a 8n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172698
PNG
(5-[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(OCCCCC(O)=O)cc1)N(C)C
Show InChI InChI=1S/C31H45NO6S/c1-5-7-18-31(19-8-6-2)22-39(36,37)27-17-14-24(32(3)4)21-26(27)29(30(31)35)23-12-15-25(16-13-23)38-20-10-9-11-28(33)34/h12-17,21,29-30,35H,5-11,18-20,22H2,1-4H3,(H,33,34)/t29-,30-/m1/s1
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n/an/a 8.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172677
PNG
(1-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCC[N+]23CCN(CC2)CC3)cc1)N(C)C
Show InChI InChI=1S/C36H56N3O5S/c1-5-7-15-36(16-8-6-2)28-45(41,42)33-14-11-30(37(3)4)27-32(33)34(35(36)40)29-9-12-31(13-10-29)44-26-25-43-24-23-39-20-17-38(18-21-39)19-22-39/h9-14,27,34-35,40H,5-8,15-26,28H2,1-4H3/q+1/t34-,35-/m1/s1
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n/an/a 8.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172708
PNG
((4R,5R)-5-{4-[2-(2-{2-[Bis-(2-hydroxy-ethyl)-amino...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCCN(CCO)CCO)cc1)N(C)C
Show InChI InChI=1S/C36H58N2O8S/c1-5-7-15-36(16-8-6-2)28-47(42,43)33-14-11-30(37(3)4)27-32(33)34(35(36)41)29-9-12-31(13-10-29)46-26-25-45-24-23-44-22-19-38(17-20-39)18-21-40/h9-14,27,34-35,39-41H,5-8,15-26,28H2,1-4H3/t34-,35-/m1/s1
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n/an/a 9n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172666
PNG
(4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(O)c(O)c1)N(C)C
Show InChI InChI=1S/C26H37NO5S/c1-5-7-13-26(14-8-6-2)17-33(31,32)23-12-10-19(27(3)4)16-20(23)24(25(26)30)18-9-11-21(28)22(29)15-18/h9-12,15-16,24-25,28-30H,5-8,13-14,17H2,1-4H3/t24-,25-/m1/s1
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n/an/a 9.5n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172682
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-methoxy-p...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OC)c1)N(C)C
Show InChI InChI=1S/C27H39NO4S/c1-6-8-15-27(16-9-7-2)19-33(30,31)24-14-13-21(28(3)4)18-23(24)25(26(27)29)20-11-10-12-22(17-20)32-5/h10-14,17-18,25-26,29H,6-9,15-16,19H2,1-5H3/t25-,26-/m1/s1
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n/an/a 11n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172684
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-hydroxyme...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(CO)cc1)N(C)C
Show InChI InChI=1S/C27H39NO4S/c1-5-7-15-27(16-8-6-2)19-33(31,32)24-14-13-22(28(3)4)17-23(24)25(26(27)30)21-11-9-20(18-29)10-12-21/h9-14,17,25-26,29-30H,5-8,15-16,18-19H2,1-4H3/t25-,26-/m1/s1
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n/an/a 11n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
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



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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172672
PNG
((4R,5R)-3,3-Dibutyl-5-[4-(5-diethylamino-pentyloxy...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCCN(CC)CC)cc1)N(C)C
Show InChI InChI=1S/C35H56N2O4S/c1-7-11-22-35(23-12-8-2)27-42(39,40)32-21-18-29(36(5)6)26-31(32)33(34(35)38)28-16-19-30(20-17-28)41-25-15-13-14-24-37(9-3)10-4/h16-21,26,33-34,38H,7-15,22-25,27H2,1-6H3/t33-,34-/m1/s1
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n/an/a 16n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172697
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(6-hydroxy-n...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc2cc(O)ccc2c1)N(C)C
Show InChI InChI=1S/C30H39NO4S/c1-5-7-15-30(16-8-6-2)20-36(34,35)27-14-12-24(31(3)4)19-26(27)28(29(30)33)23-10-9-22-18-25(32)13-11-21(22)17-23/h9-14,17-19,28-29,32-33H,5-8,15-16,20H2,1-4H3/t28-,29-/m1/s1
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n/an/a 17n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172658
PNG
((4R,5R)-3,3-Dibutyl-5-(3,4-dimethoxy-phenyl)-7-dim...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)c(OC)c1)N(C)C
Show InChI InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)25-14-12-21(29(3)4)18-22(25)26(27(28)30)20-11-13-23(33-5)24(17-20)34-6/h11-14,17-18,26-27,30H,7-10,15-16,19H2,1-6H3/t26-,27-/m1/s1
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n/an/a 20n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172664
PNG
((4R,5R)-3,3-Dibutyl-5-(3,4-difluoro-phenyl)-7-dime...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(F)c(F)c1)N(C)C
Show InChI InChI=1S/C26H35F2NO3S/c1-5-7-13-26(14-8-6-2)17-33(31,32)23-12-10-19(29(3)4)16-20(23)24(25(26)30)18-9-11-21(27)22(28)15-18/h9-12,15-16,24-25,30H,5-8,13-14,17H2,1-4H3/t24-,25-/m1/s1
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n/an/a 22n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172673
PNG
(CHEMBL194239 | {2-[4-((4R,5R)-3,3-Dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCC(=O)NCC(O)=O)cc1)N(C)C
Show InChI InChI=1S/C30H42N2O7S/c1-5-7-15-30(16-8-6-2)20-40(37,38)25-14-11-22(32(3)4)17-24(25)28(29(30)36)21-9-12-23(13-10-21)39-19-26(33)31-18-27(34)35/h9-14,17,28-29,36H,5-8,15-16,18-20H2,1-4H3,(H,31,33)(H,34,35)/t28-,29-/m1/s1
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n/an/a 23n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172660
PNG
(CHEMBL196005 | [4-((4R,5R)-3,3-Dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCC(O)=O)cc1)N(C)C
Show InChI InChI=1S/C28H39NO6S/c1-5-7-15-28(16-8-6-2)19-36(33,34)24-14-11-21(29(3)4)17-23(24)26(27(28)32)20-9-12-22(13-10-20)35-18-25(30)31/h9-14,17,26-27,32H,5-8,15-16,18-19H2,1-4H3,(H,30,31)/t26-,27-/m1/s1
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n/an/a 27n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172703
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-[4...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccncc2)cc1)N(C)C
Show InChI InChI=1S/C32H42N2O4S/c1-5-7-17-32(18-8-6-2)23-39(36,37)29-14-11-26(34(3)4)21-28(29)30(31(32)35)25-9-12-27(13-10-25)38-22-24-15-19-33-20-16-24/h9-16,19-21,30-31,35H,5-8,17-18,22-23H2,1-4H3/t30-,31-/m1/s1
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n/an/a 28n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172686
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-th...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccs1)N(C)C
Show InChI InChI=1S/C24H35NO3S2/c1-5-7-13-24(14-8-6-2)17-30(27,28)21-12-11-18(25(3)4)16-19(21)22(23(24)26)20-10-9-15-29-20/h9-12,15-16,22-23,26H,5-8,13-14,17H2,1-4H3/t22-,23+/m0/s1
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n/an/a 30n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172670
PNG
((4R,5R)-3,3-Dibutyl-5-(4-{2-[2-(2-diethylamino-eth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCCN(CC)CC)cc1)N(C)C
Show InChI InChI=1S/C36H58N2O6S/c1-7-11-19-36(20-12-8-2)28-45(40,41)33-18-15-30(37(5)6)27-32(33)34(35(36)39)29-13-16-31(17-14-29)44-26-25-43-24-23-42-22-21-38(9-3)10-4/h13-18,27,34-35,39H,7-12,19-26,28H2,1-6H3/t34-,35-/m1/s1
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n/an/a 30n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172691
PNG
(4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(cc1)C(=O)OC)N(C)C
Show InChI InChI=1S/C28H39NO5S/c1-6-8-16-28(17-9-7-2)19-35(32,33)24-15-14-22(29(3)4)18-23(24)25(26(28)30)20-10-12-21(13-11-20)27(31)34-5/h10-15,18,25-26,30H,6-9,16-17,19H2,1-5H3/t25-,26-/m1/s1
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n/an/a 41n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172647
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-methylsul...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(SC)cc1)N(C)C
Show InChI InChI=1S/C27H39NO3S2/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 42n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172665
PNG
((4R,5R)-3,3-Dibutyl-5-[3-(2-diethylamino-ethoxy)-p...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OCCN(CC)CC)c1)N(C)C
Show InChI InChI=1S/C32H50N2O4S/c1-7-11-18-32(19-12-8-2)24-39(36,37)29-17-16-26(33(5)6)23-28(29)30(31(32)35)25-14-13-15-27(22-25)38-21-20-34(9-3)10-4/h13-17,22-23,30-31,35H,7-12,18-21,24H2,1-6H3/t30-,31-/m1/s1
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n/an/a 45n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172648
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CN(C)C)c1)N(C)C
Show InChI InChI=1S/C29H44N2O3S/c1-7-9-16-29(17-10-8-2)21-35(33,34)26-15-14-24(31(5)6)19-25(26)27(28(29)32)23-13-11-12-22(18-23)20-30(3)4/h11-15,18-19,27-28,32H,7-10,16-17,20-21H2,1-6H3/t27-,28-/m1/s1
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n/an/a 47n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172659
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-[3...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(Nc2ccncc2)c1)N(C)C
Show InChI InChI=1S/C31H41N3O3S/c1-5-7-16-31(17-8-6-2)22-38(36,37)28-13-12-26(34(3)4)21-27(28)29(30(31)35)23-10-9-11-25(20-23)33-24-14-18-32-19-15-24/h9-15,18-21,29-30,35H,5-8,16-17,22H2,1-4H3,(H,32,33)/t29-,30-/m1/s1
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n/an/a 52n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172657
PNG
(CHEMBL199148 | [3-((4R,5R)-3,3-Dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(C[N+](C)(C)C)c1)N(C)C
Show InChI InChI=1S/C30H47N2O3S/c1-8-10-17-30(18-11-9-2)22-36(34,35)27-16-15-25(31(3)4)20-26(27)28(29(30)33)24-14-12-13-23(19-24)21-32(5,6)7/h12-16,19-20,28-29,33H,8-11,17-18,21-22H2,1-7H3/q+1/t28-,29-/m1/s1
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n/an/a 67n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172704
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(6-methoxy-n...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc2cc(OC)ccc2c1)N(C)C
Show InChI InChI=1S/C31H41NO4S/c1-6-8-16-31(17-9-7-2)21-37(34,35)28-15-13-25(32(3)4)20-27(28)29(30(31)33)24-11-10-23-19-26(36-5)14-12-22(23)18-24/h10-15,18-20,29-30,33H,6-9,16-17,21H2,1-5H3/t29-,30-/m1/s1
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n/an/a 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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172662
PNG
(3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc[n+](C)c1)N(C)C
Show InChI InChI=1S/C26H39N2O3S/c1-6-8-14-26(15-9-7-2)19-32(30,31)23-13-12-21(27(3)4)17-22(23)24(25(26)29)20-11-10-16-28(5)18-20/h10-13,16-18,24-25,29H,6-9,14-15,19H2,1-5H3/q+1/t24-,25-/m1/s1
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n/an/a 220n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172676
PNG
(CHEMBL436331 | {2-[4-((4R,5R)-3,3-Dibutyl-7-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCC[N+](C)(C)C)cc1)N(C)C
Show InChI InChI=1S/C31H49N2O4S/c1-8-10-18-31(19-11-9-2)23-38(35,36)28-17-14-25(32(3)4)22-27(28)29(30(31)34)24-12-15-26(16-13-24)37-21-20-33(5,6)7/h12-17,22,29-30,34H,8-11,18-21,23H2,1-7H3/q+1/t29-,30-/m1/s1
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n/an/a 260n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172689
PNG
(4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(cc1)C(O)=O)N(C)C
Show InChI InChI=1S/C27H37NO5S/c1-5-7-15-27(16-8-6-2)18-34(32,33)23-14-13-21(28(3)4)17-22(23)24(25(27)29)19-9-11-20(12-10-19)26(30)31/h9-14,17,24-25,29H,5-8,15-16,18H2,1-4H3,(H,30,31)/t24-,25-/m1/s1
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n/an/a 320n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172696
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-[4-(2-dimeth...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCN(C)C)cc1)N(C)C
Show InChI InChI=1S/C30H46N2O4S/c1-7-9-17-30(18-10-8-2)22-37(34,35)27-16-13-24(32(5)6)21-26(27)28(29(30)33)23-11-14-25(15-12-23)36-20-19-31(3)4/h11-16,21,28-29,33H,7-10,17-20,22H2,1-6H3/t28-,29-/m1/s1
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n/an/a 340n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172669
PNG
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-naphthalen-1...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc2ccccc12)N(C)C
Show InChI InChI=1S/C30H39NO3S/c1-5-7-18-30(19-8-6-2)21-35(33,34)27-17-16-23(31(3)4)20-26(27)28(29(30)32)25-15-11-13-22-12-9-10-14-24(22)25/h9-17,20,28-29,32H,5-8,18-19,21H2,1-4H3/t28-,29-/m1/s1
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n/an/a 620n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172683
PNG
(1-[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(C[n+]2ccccc2)cc1)N(C)C
Show InChI InChI=1S/C32H43N2O3S/c1-5-7-18-32(19-8-6-2)24-38(36,37)29-17-16-27(33(3)4)22-28(29)30(31(32)35)26-14-12-25(13-15-26)23-34-20-10-9-11-21-34/h9-17,20-22,30-31,35H,5-8,18-19,23-24H2,1-4H3/q+1/t30-,31-/m1/s1
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n/an/a 850n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172707
PNG
((4R,5R)-3,3-Dibutyl-5-(4-diethylaminomethyl-phenyl...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(CN(CC)CC)cc1)N(C)C
Show InChI InChI=1S/C31H48N2O3S/c1-7-11-19-31(20-12-8-2)23-37(35,36)28-18-17-26(32(5)6)21-27(28)29(30(31)34)25-15-13-24(14-16-25)22-33(9-3)10-4/h13-18,21,29-30,34H,7-12,19-20,22-23H2,1-6H3/t29-,30-/m1/s1
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n/an/a 930n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172651
PNG
((4R,5R)-3,3-Dibutyl-5-(4-tert-butyl-phenyl)-7-dime...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(cc1)C(C)(C)C)N(C)C
Show InChI InChI=1S/C30H45NO3S/c1-8-10-18-30(19-11-9-2)21-35(33,34)26-17-16-24(31(6)7)20-25(26)27(28(30)32)22-12-14-23(15-13-22)29(3,4)5/h12-17,20,27-28,32H,8-11,18-19,21H2,1-7H3/t27-,28-/m1/s1
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n/an/a 1.00E+3n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370668
PNG
(CHEMBL540129)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(C[N+](CC)(CC)CC)cc1)N(C)C |r|
Show InChI InChI=1S/C33H53N2O3S/c1-8-13-21-33(22-14-9-2)25-39(37,38)30-20-19-28(34(6)7)23-29(30)31(32(33)36)27-17-15-26(16-18-27)24-35(10-3,11-4)12-5/h15-20,23,31-32,36H,8-14,21-22,24-25H2,1-7H3/q+1/t31-,32-/m1/s1
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n/an/a 5.50E+3n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172699
PNG
(CHEMBL194188 | [4-((4R,5R)-3,3-Dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(C[N+](C)(C)C)cc1)N(C)C
Show InChI InChI=1S/C30H47N2O3S/c1-8-10-18-30(19-11-9-2)22-36(34,35)27-17-16-25(31(3)4)20-26(27)28(29(30)33)24-14-12-23(13-15-24)21-32(5,6)7/h12-17,20,28-29,33H,8-11,18-19,21-22H2,1-7H3/q+1/t28-,29-/m1/s1
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n/an/a 8.80E+3n/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

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%