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Ileal bile acid transporter Inhibitors (IC50, Ki)

Structure
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Compound Name
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Standard Type
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Standard Values (in nM)
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(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(4-methoxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC506.8 [1], 7.0 [2], 63000.0 [3]
Methyl-1-(3,4-dimethoxyphenyl)-3-(3-ethylvaleryl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoateIC502550.0 [1], 185000.0 [2]
LinerixibatIC5042.0 [1], 43.0 [2]
Unii-8gyw8T88JIIC5048.0 [1], 180.0 [2]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5013.0 [1]
2-[2-[2-[4-[(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethyl-triethylazanium;bromideIC503.0 [1]
(2S)-1-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methyl]pyrrolidine-2-carboxylic acidIC503000.0 [1], 3900.0 [2]
2-[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]ethylphosphonic acidIC5051.0 [1]
[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]methylphosphonic acidIC503000.0 [1], 3360.0 [2]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methyl-methylamino]acetic acidIC5041.0 [1]
(2S)-6-Amino-2-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]hexanoic acidIC501458.0 [1]
(2S)-2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-3-hydroxypropanoic acidIC5059.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]ethylphosphonic acidIC502698.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methyl-(carboxymethyl)amino]acetic acidIC50145.0 [1], 245.0 [2]
3-[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]propylphosphonic acidIC5051.0 [1]
(2S,3R)-2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-3-hydroxybutanoic acidIC50425.0 [1]
4-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]butanoic acidIC501287.0 [1]
(2R)-1-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methyl]pyrrolidine-2-carboxylic acidIC50751.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-2-oxoacetic acidIC506.0 [1], 8992.0 [2]
3-[3-[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]propanoylamino]pentanedioic acidIC503000.0 [1], 3330.0 [2]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine-8-carbonyl]-(carboxymethyl)amino]acetic acidIC502540.0 [1]
[2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-2-oxoethyl]phosphonic acidIC50249.0 [1]
[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylphosphonic acidIC5023.0 [1]
3-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine-8-carbonyl]amino]-2,2-dimethylpropanoic acidIC5032.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]ethanesulfonic acidIC5054.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methyl-(2-sulfoethyl)amino]ethanesulfonic acidIC50365.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine-8-carbonyl]amino]ethanesulfonic acidIC502.0 [1]
[3-[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]propanoylamino]methanesulfonic acidIC50167.0 [1]
3-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-3-oxopropane-1-sulfonic acidIC50128.0 [1]
3-[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]propane-1-sulfonic acidIC504.0 [1]
[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine-8-carbonyl]amino]methanesulfonic acidIC5011.0 [1]
2-[[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-2-oxoethanesulfonic acidIC509.0 [1]
MaralixibatIC500.28 [1], 890.0 [2]
SodiumKi144000.0 [1]
Cyclosporin AKi24000.0 [1]
Deoxycholic acidKi6300.0 [1]
Ursodeoxycholic acidKi75000.0 [1]
Taurocholic acidKi41500.0 [1]
Chenodeoxycholic acidKi3300.0 [1]
Tauroursodeoxycholic acidKi28000.0 [1]
Taurochenodeoxycholic acidKi6100.0 [1]
Taurodeoxycholic acidKi17200.0 [1]
(3R,5R)-3-Butyl-3-ethyl-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxideKi10000.0 [1]
(4R,5R)-5-[4-[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)butoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC501.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(4-hydroxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC502.2 [1]
2-[Carboxymethyl-[[6-[[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]methyl]pyridin-2-yl]methyl]amino]acetic acidIC504.0 [1]
7-[7-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)heptoxy]-N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxoquinoline-3-carboxamide;bromideIC50770.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-[3-(pyridin-4-ylamino)phenyl]-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5052.0 [1]
2-Isopropyl-4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinoline-3-carboxylic acid ethyl esterIC504400.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-[4-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methoxy]phenyl]-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC501.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-5-(4-fluorophenyl)-7-methylsulfanyl-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5019.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-pyridin-4-yl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC508.0 [1]
(4R,5R)-5-[4-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC500.5 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-[4-[(1-ethylpyridin-1-ium-4-yl)methoxy]phenyl]-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC506.0 [1]
(4R,5R)-5-[4-[2-[2-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC508.5 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-pyridin-3-yl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC507.5 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5010.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-9-methoxy-5-(4-methoxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC502.0 [1]
(4R,5R)-3,3-Dibutyl-9-(dimethylamino)-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50180.0 [1]
Methyl 4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]benzoateIC5041.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(6-hydroxynaphthalen-2-yl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5017.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-[3-fluoro-4-[2-[2-[2-(4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)ethoxy]ethoxy]ethoxy]phenyl]-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC503.0 [1]
(3S,4S,5S)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC502000.0 [1]
(4R,5R)-3,3-Dibutyl-5-(4-fluorophenyl)-7-methyl-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5046.0 [1]
(4R,5R)-3,3-Dibutyl-8-(dimethylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50120.0 [1]
(4R,5R)-3,3-Dibutyl-5-(3,4-dimethoxyphenyl)-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5020.0 [1]
2-[[2-[3-[(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]anilino]acetyl]amino]acetic acidIC500.3 [1]
[(4R,5R)-3,3-Dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]-trimethylazaniumIC50210.0 [1]
Methyl 3-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]benzoateIC507.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50340.0 [1]
(4R,5R)-7-Amino-3,3-dimethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5050000.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(3-methoxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5011.0 [1]
4-[(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]benzoic acidIC50320.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)phenyl]-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5028.0 [1]
2-[2-[2-[[(3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-8-yl]oxy]ethoxy]ethoxy]ethyl-trimethylazaniumIC5018000.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-7-(hexylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC501670.0 [1]
[(3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]-trimethylazaniumIC5083.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepine-4,8-diolIC5090.0 [1]
N-[(3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]acetamideIC5090.0 [1]
(4R,5R)-3,3-Dibutyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50190.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-[4-(hydroxymethyl)phenyl]-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5011.0 [1]
(4R,5R)-7-Amino-3,3-diethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC504000.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50280.0 [1]
Benzyl N-[(4R,5R)-3,3-dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]carbamateIC50600.0 [1]
2-[2-[2-[4-[(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethyl-trimethylazaniumIC504.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5055.0 [1]
Tert-butyl N-[(3S,4R,5R)-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]carbamateIC501300.0 [1]
Tert-butyl N-[(3S,4R,5R)-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]-N-hydroxycarbamateIC502670.0 [1]
(4R,5S)-7-Bromo-5-(2-bromophenyl)-3,3-dibutyl-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50550.0 [1]
(4R,5R)-3,3-Dibutyl-5-[3-[2-(diethylamino)ethoxy]phenyl]-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5045.0 [1]
(4R,5R)-3,3-Dibutyl-5-(4-fluorophenyl)-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5050.0 [1]
5-[4-[(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]pentanoic acidIC508.5 [1]
(3S,4S,5R)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC504800.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxo-5-thiophen-3-yl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC505.0 [1]
(3S,4R,5R)-3-Butyl-3-ethyl-5-(3-methoxyphenyl)-1,1-dioxo-7-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50180.0 [1]
(4R,5R)-3,3-Dibutyl-5-(3,4-difluorophenyl)-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5022.0 [1]
(4R,5R)-3,3-Dibutyl-7-(dimethylamino)-5-(1-methylpyridin-1-ium-3-yl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50220.0 [1]
(4R,5R)-7-Amino-1,1-dioxo-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC50230.0 [1]
(4R,5R)-7-Amino-3,3-dibutyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-olIC5054.0 [1]
N-[(3S,4R,5R)-3-Butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-7-yl]methanesulfonamideIC50600.0 [1]
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References

This online tool may be cited as follows

MLA

"Quest Database™ Ileal bile acid transporter Inhibitors (IC50, Ki)." AAT Bioquest, Inc., 9 May. 2024, https://www.aatbio.com/data-sets/ileal-bile-acid-transporter-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024, May 9). Quest Database™ Ileal bile acid transporter Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/ileal-bile-acid-transporter-inhibitors-ic50-ki.
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