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Sphingosine 1-phosphate receptor Edg-1 Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
Sphingosine 1-phosphateIC500.16 [1], 0.47 [2], 0.67 [3], 0.78 [4], 1.4 [5]
FTY720 phosphateIC500.01 [1], 0.28 [2]
\n\n - Open Babel Depiction\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nN\nO\nS\nF\nF\nF\nO\nHO\n\n\n\n\n1-(4-((4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acidIC501.2 [1]
Merck SIP AgonistIC500.6 [1]
3-(Tetradecylamino)propylphosphonic acidIC502.3 [1], 3.7 [2]
[(1R,3R)-3-Amino-1-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acidIC500.1 [1], 4.8 [2]
[3-(4-Nonyl-benzylamino)-propyl]-phosphonic acidIC500.2 [1], 0.6 [2], 3.1 [3]
5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleIC5037.0 [1]
Fingolimod phosphate ester, S-IC500.28 [1], 2.1 [2]
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acidKi18.0 [1], 77.0 [2]
1-({4-[(3,4-Dichlorophenyl)methoxy]phenyl}methyl)azetidine-3-carboxylic acidIC50362.0 [1]
[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acidKi2840.0 [1], 4630.0 [2]
4-Amino-6-(4-octylphenyl)hexanoic AcidIC50710.0 [1]
3-(3-Bromo-5-methoxy-4-(octyloxy)benzylamino)propylphosphonic acidIC504.1 [1]
3-Amino-5-(4-octylphenyl)pentanoic AcidIC501900.0 [1]
[3-(4-Octyl-benzylamino)-propyl]-phosphonic acidIC500.2 [1], 0.6 [2]
[2-Amino-4-(4-octylphenyl)butyl] dihydrogen phosphateIC500.76 [1]
Phosphonic acid, [3-amino-5-(4-octylphenyl)pentyl]-IC508.4 [1]
[3-Amino-3-hydroxymethyl-5-(4-octyl-phenyl)-pentyl]-phosphonic acidIC506.0 [1], 8.7 [2]
1-(4-Nonylbenzyl)pyrrolidin-3-ylphosphonic acidIC500.33 [1], 6.9 [2]
1-{4-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzyl}azetidine-3-carboxylic acidIC50100.0 [1]
(S)-2-Amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphateIC501.05 [1]
1-{4-[3-(4-Tert-butylphenyl)-1,2,4-oxadiazol-5-yl]benzyl}azetidine-3-carboxylic acidIC508.2 [1]
(R)-2-Amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphateIC501.03 [1]
1-[[4-[[3-(Trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acidIC501060.0 [1]
(2S)-2-[[4-[3-[(4-Chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acidIC502.6 [1]
6-[[3-(Benzenesulfonylmethyl)-5-methylphenoxy]methyl]-1H-benzimidazol-2-amineIC5010000.0 [1]
(2S,4R)-N-[4-(4-Fluorophenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(triazol-2-yl)acetyl]pyrrolidine-2-carboxamideIC504.8 [1], 21.0 [2]
(2S,4R)-N-[4-(4-Fluorophenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamideIC505.8 [1], 26.0 [2]
N-Methyl-N-[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]benzamideIC50718.0 [1], 2800.0 [2]
(2S,4R)-4-Benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamideIC506.8 [1], 45.0 [2]
(2S,4R)-N-[4-(4-Fluorophenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamideIC505.8 [1], 13.0 [2]
4-(5-(2-(1-(3,5-Difluorophenyl)cyclohexyl)ethyl)-1,2,4-oxadiazol-3-yl)pyridin-2(1H)-oneIC5013.0 [1]
(2S)-N-[4-(4-Fluorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamideIC5013.0 [1], 284.0 [2]
1-[(2-Methyl-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acidIC504170.0 [1]
(2S)-N-[4-(4-Chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamideIC5032.0 [1], 221.0 [2]
2-(4-Butoxyphenyl)sulfanyl-5-[2-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acidIC50190.0 [1], 1000.0 [2]
2-(4-Butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(7-hydroxyheptoxy)but-2-ynyl]phenyl]benzenesulfonic acidIC5031.0 [1], 500.0 [2]
FingolimodIC50840.0 [1]
CID 10223146IC501000.0 [1]
PonesimodIC5012.59 [1]
EtrasimodIC501.88 [1]
CeralifimodKi0.63 [1]
N-(4-(Aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamideIC506400.0 [1]
CID 59393720IC502.0 [1]
(2R)-2-Amino-2-[(phosphonooxy)methyl]-4-(4-octylphenyl)-1-butanolIC500.16 [1]
5-(2,5-Dichlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamideIC5020000.0 [1]
CID 90309142IC5010000.0 [1]
1-[[4-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acidIC508.3 [1]
[(3R)-3-Amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acidKi30.0 [1]
[(2R)-2-Amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propyl] dihydrogen phosphateIC500.23 [1]
1-(4-(3,4-Dichlorobenzyloxy)-2-methylbenzyl)azetidine-3-carboxylic acidIC50166.0 [1]
1-[(2-Chloro-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acidIC504230.0 [1]
1-[[2-Methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acidIC50333.0 [1]
1-[[2-Fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acidIC50680.0 [1]
1-[[2-Chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acidIC50256.0 [1]
1-[[4-[(2,4-Dichlorophenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acidIC50835.0 [1]
1-(4-(3-(Trifluoromethyl)phenethyl)benzyl)azetidine-3-carboxylic acidIC50221.0 [1]
CID 54580603IC5020000.0 [1]
4-[3-(4-Fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acidIC5010000.0 [1]
1-({4-[5-(4-Butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acidIC502.9 [1]
(3-Amino-heptadecyl)-phosphonic acidIC5019.0 [1]
2-Hydroxy-4-(4-nonyl-benzylamino)-butyric acidIC5022.0 [1]
3-Fluoro-4-(4-nonyl-benzylamino)-butyric acidIC5041.0 [1]
[3-(3-Chloro-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC500.3 [1]
[3-(3-Ethoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC502.5 [1]
1-(4-Nonylbenzyl)azetidine-3-carboxylic acidIC5018.0 [1]
[3-(3-Methyl-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC500.5 [1]
[3-(3,5-Dichloro-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC500.6 [1]
[3-(4-Octyloxy-benzylamino)-propyl]-phosphonic acidIC501.5 [1]
[3-(4-Nonanoyl-benzylamino)-propyl]-phosphonic acidIC500.9 [1]
[3-Amino-2-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acidIC5014.0 [1]
[3-(4-Nonyloxy-benzylamino)-propyl]-phosphonic acidIC500.3 [1]
[3-(3-Methoxy-5-methyl-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC502.3 [1]
[3-(3-Chloro-5-methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC502.4 [1]
[3-(3-Bromo-5-methoxy-4-nonyloxy-benzylamino)-propyl]-phosphonic acidIC501.4 [1]
[3-(3-Bromo-5-methoxy-4-undecyloxy-benzylamino)-propyl]-phosphonic acidIC501.2 [1]
1-[(4-Octylphenyl)methyl]azetidine-3-carboxylic acidIC5018.0 [1]
2,2-Difluoro-4-(4-nonyl-benzylamino)-butyric acidIC5044.0 [1]
[3-(3-Fluoro-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC500.7 [1]
1-(4-((4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)pyrrolidine-3-carboxylic acidIC504.3 [1]
(3-Amino-hexadecyl)-phosphonic acidIC5025.0 [1]
1-(4-Nonylbenzyl)pyrrolidine-3-carboxylic acidIC5020.0 [1]
4-[(3-Phosphono-propylamino)-methyl]-benzoic acid heptyl esterIC502.3 [1]
(3-Amino-henicosyl)-phosphonic acidIC501600.0 [1]
1-(3-Chloro-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acidIC503.2 [1]
4-(4-Nonyl-benzylamino)-butyric acidIC507.7 [1]
1-({4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acidIC503.8 [1]
1-[(4-{5-[4-(Propan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acidIC501.8 [1]
1-({4-[5-(4-Phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acidIC501.7 [1]
Methyl-[3-(4-nonyl-benzylamino)-propyl]-phosphinic acidIC502.0 [1]
{3-[4-(1-Hydroxy-nonyl)-benzylamino]-propyl}-phosphonic acidIC5032.0 [1]
[3-(3-Methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC501.9 [1]
3-[[4-(4-Hexylphenyl)phenyl]methylamino]propylphosphonic acidIC500.9 [1]
[3-(3-Bromo-4-heptyloxy-5-methoxy-benzylamino)-propyl]-phosphonic acidIC5013.0 [1]
1-(3-Methyl-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acidIC501.8 [1]
[3-(3,5-Dibromo-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC501.3 [1]
3-Hydroxy-4-(4-nonyl-benzylamino)-butyric acidIC5014.0 [1]
3-Amino-5-(4-octyl-phenyl)-pentane-1-sulfonic acidIC501700.0 [1]
[3-(3-Hydroxy-4-octyloxy-benzylamino)-propyl]-phosphonic acidIC5014.0 [1]



References

This online tool may be cited as follows

MLA

"Quest Database™ Sphingosine 1-phosphate receptor Edg-1 Inhibitors (IC50, Ki)." AAT Bioquest, Inc.9 May2024https://www.aatbio.com/data-sets/sphingosine-1-phosphate-receptor-edg-1-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024May 9). Quest Database™ Sphingosine 1-phosphate receptor Edg-1 Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/sphingosine-1-phosphate-receptor-edg-1-inhibitors-ic50-ki.
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