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Smoothened homolog Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
VismodegibIC507.0 [1], 20.0 [2], 23.0 [3], 33.0 [4]
VismodegibKi16.2 [1]
CyclopamineIC5064.0 [1], 280.0 [2], 300.0 [3]
CyclopamineKi12.7 [1], 232.0 [2]
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamideIC50281.0 [1], 300.0 [2], 650.0 [3]
N-[(3-Benzamidophenyl)carbamoyl]-3,4,5-trimethoxybenzamideIC50107.0 [1], 160.0 [2]
N-(4,4-Difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamideIC5013.0 [1], 39.0 [2]
(8As)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamideIC5013.0 [1], 17.0 [2], 22.0 [3]
(8As)-N-[2-(3-chlorophenyl)pyrazol-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC508.0 [1], 18.0 [2], 32.0 [3]
(8As)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5015.0 [1], 18.0 [2]
(8As)-N-[2,6-dichloro-4-(dimethylcarbamoyl)phenyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5077.0 [1], 120.0 [2]
(8As)-N-(2,6-dichloro-4-fluorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50140.0 [1], 180.0 [2], 520.0 [3]
(8As)-N-(2,6-dichloro-4-cyanophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50100.0 [1], 120.0 [2], 450.0 [3]
(8As)-N-[2-(3-chlorophenyl)pyridin-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC504.0 [1], 5.0 [2], 15.0 [3]
(8As)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylpyridin-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5021.0 [1], 42.0 [2], 89.0 [3]
(8Ar)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamideIC501200.0 [1], 1400.0 [2], 1600.0 [3]
(8As)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5021.0 [1], 42.0 [2], 70.0 [3]
(8As)-N-(2,3-dichlorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50230.0 [1], 270.0 [2], 690.0 [3]
(8As)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamideIC5019.0 [1], 23.0 [2], 60.0 [3]
(8As)-N-[2-(3-cyanophenyl)pyridin-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC505.0 [1], 16.0 [2], 22.0 [3]
(8As)-N-(2,6-dichloro-4-methylsulfonylphenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5041.0 [1], 42.0 [2], 68.0 [3]
(8As)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyridin-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5012.0 [1], 28.0 [2]
(8As)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC506.0 [1], 7.0 [2], 9.0 [3]
Sant-1IC504.74 [1], 25.0 [2]
3,4,5-Trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamideIC505.0 [1], 15.0 [2]
1-((5-Methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazineIC5078.4 [1], 96.0 [2]
(R)-(3-Methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanoneIC502.8 [1]
3-Fluoro-N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-5-pyrrolidin-1-ylbenzamideIC50450.0 [1], 30000.0 [2]
Nvp-leq-506IC50100.0 [1]
(R)-(3-Methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanoneIC502.2 [1]
(S)-(3-Methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanoneIC505.3 [1], 11.0 [2]
(4-(4-(3,4-Dichlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanoneIC5017.0 [1], 17.3 [2]
(R)-(4-(4-(4-(Hydroxymethyl)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanoneIC502.7 [1]
(R)-(4-(4-(4-(Dimethylamino)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanoneIC505.2 [1], 5.3 [2]
Phenyl[4-(4-phenyl-1-phthalazinyl)piperazino]methanoneIC5019.0 [1]
N-[N'-(3-Benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamideIC50290.0 [1]
CID 44610687IC50380.0 [1], 3500.0 [2]
N-(2-Chloro-5-methylsulfonylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC501200.0 [1], 2500.0 [2]
N-(2-Chloro-4-methylsulfonylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC501500.0 [1], 4100.0 [2]
N-(2-Chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50320.0 [1], 2500.0 [2]
N-(2-Chlorophenyl)-4-[3-(5-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamideIC502500.0 [1]
N-[[1-(Cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50140.0 [1], 520.0 [2]
N-(2-Chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamideIC50170.0 [1], 700.0 [2]
1-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(2-methoxyphenyl)piperazineIC501870.0 [1], 5000.0 [2]
1-((1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(4-methoxyphenyl)piperazineIC501690.0 [1], 2000.0 [2]
1-((1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazineIC5020.0 [1], 823.0 [2]
1-(4-Methoxyphenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazineIC505000.0 [1]
1-(4-Fluorophenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazineIC505000.0 [1]
1-[(5-Methyl-1-phenylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazineIC50328.0 [1], 333.0 [2]
1-(4-Methoxyphenyl)-4-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazineIC50105.0 [1], 126.0 [2]
1-[[1-(4-Fluorophenyl)-5-methylpyrazol-4-yl]methyl]-4-(3-methoxyphenyl)piperazineIC505.0 [1], 64.7 [2]
4-[[3-(2,5-Dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-(2-fluorophenyl)-5-methylpyrazoleIC5040.8 [1], 216.0 [2]
4-((3-(2-Fluoro-6-methoxyphenoxy)azetidin-1-yl)methyl)-5-methyl-1-phenyl-1H-pyrazoleIC508.27 [1], 124.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5013.0 [1], 16.0 [2]
4-[3-(1-Methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperazine-1-carboxamideIC505.0 [1], 6.0 [2]
N-[[1-(Ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC5046.0 [1], 91.0 [2]
N-(2-Morpholin-4-yl-2-pyridin-3-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC502600.0 [1], 9900.0 [2]
N-[[1-(Piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50230.0 [1], 7000.0 [2]
Tert-butyl N-[1-[[[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]methyl]cyclopentyl]carbamateIC502000.0 [1], 14000.0 [2]
N-(4,4-Difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50480.0 [1], 1500.0 [2]
N-(2-Chlorophenyl)-4-[3-(4-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamideIC502500.0 [1]
N-(2-Chlorophenyl)-4-[3-(7-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamideIC502500.0 [1]
1,3-Dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC502000.0 [1], 5000.0 [2]
2-(2,3-Dihydro-1H-inden-2-yl)-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50320.0 [1], 880.0 [2]
N-(2-Chloro-4-cyano-6-methylphenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5084.0 [1], 150.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-[2-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50890.0 [1], 1100.0 [2]
N-(2-Chloro-4-fluorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC501100.0 [1]
N-(1,3-Benzodioxol-5-yl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50700.0 [1], 2700.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50210.0 [1], 220.0 [2]
N-[2-(3-Methoxyphenyl)pyridin-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5047.0 [1], 82.0 [2]
N-[[1-(Diethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC5046.0 [1], 55.0 [2]
N-[(1-Propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50340.0 [1], 650.0 [2]
N-[(1-Ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC5064.0 [1], 80.0 [2]
N-[(1-Morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC5023.0 [1], 72.0 [2]
Methyl 2-chloro-3-[[1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl]amino]benzoateIC501100.0 [1], 2200.0 [2]
N-(3-Chloro-2-methylphenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50370.0 [1], 460.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-propan-2-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50180.0 [1], 210.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyridin-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5012.0 [1], 28.0 [2]
3-Oxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamideIC501400.0 [1], 3000.0 [2]
N-(2-Phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50210.0 [1], 330.0 [2]
4-(3-Quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamideIC50380.0 [1], 600.0 [2]
N-(2,3-Dichloro-4-fluorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50480.0 [1], 510.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylpyridin-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5088.0 [1], 240.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)isoindole-5-carboxamideIC503200.0 [1], 4600.0 [2]
N-[[1-(4-Fluoropiperidin-1-yl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50110.0 [1], 200.0 [2]
N-[(1-Acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50320.0 [1], 13000.0 [2]
N-[(1-Morpholin-4-ylcycloheptyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50240.0 [1], 480.0 [2]
N-[(1-Pyrrolidin-1-ylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC5032.0 [1], 42.0 [2]
N-[(1-Phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50810.0 [1], 4500.0 [2]
N-(2-Chlorophenyl)-4-[3-(1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamideIC501000.0 [1], 4500.0 [2]
N-Cyclohexyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamideIC5045.0 [1], 180.0 [2]
1,3-Dioxo-2-[(1S,2S)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC502500.0 [1]
N-(2,6-Dichloro-4-cyanophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC5062.0 [1], 120.0 [2]
N-(3,5-Dichlorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50280.0 [1], 780.0 [2]
N-Methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC501000.0 [1], 1600.0 [2]
1,3-Dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(4-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamideIC50890.0 [1], 2000.0 [2]
N-[[1-(4-Methoxypiperidin-1-yl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50210.0 [1], 530.0 [2]
N-[(4-Ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamideIC50300.0 [1], 390.0 [2]
4-[3-(1-Methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-1-carboxamideIC5019.0 [1], 21.0 [2]
N-[(1-Piperidin-1-ylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamideIC508.0 [1], 10.0 [2]



References

This online tool may be cited as follows

MLA

"Quest Database™ Smoothened homolog Inhibitors (IC50, Ki)." AAT Bioquest, Inc.20 Nov2024https://www.aatbio.com/data-sets/smoothened-homolog-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024November 20). Quest Database™ Smoothened homolog Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/smoothened-homolog-inhibitors-ic50-ki.
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