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Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[[4-[[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]acetyl]amino]phenyl]diazenyl]phenyl]pentanamideIC5089.0 [1], 135.0 [2], 1400.0 [3], 16400.0 [4]
Methylsulfanylmethyl (E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoateIC50348.0 [1], 2147.0 [2]
Methoxymethyl (E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoateIC50742.0 [1], 1916.0 [2]
2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-Ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]-N-[4-[[4-[[2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]acetyl]amino]phenyl]diazenyl]phenyl]acetamideIC50140.0 [1], 358.0 [2]
2-[[(2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-Ethyl-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methoxy]-N-(4-phenyldiazenylphenyl)acetamideIC5049.0 [1], 75.0 [2]
Cyclosporin AIC50183.0 [1]
TacrolimusIC5014.8 [1]
2-[4-[(2S)-3-[4-(3-Hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxo-2-(prop-2-enoxycarbonylamino)propyl]-N-oxaloanilino]benzoic acidKi200000.0 [1]
2-[[4-[2-Acetamido-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl]-oxaloamino]benzoic acidKi300000.0 [1]
2-[4-[2-Acetamido-3-[4-(5-chloro-3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-ethyl-N-oxaloanilino]benzoic acidKi3000.0 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-12-[(E)-1-[(3R,4R)-4-[(2S)-2-hydroxy-2-naphthalen-2-ylethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC502.8 [1]
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4R)-3-methoxy-4-(2-phenylethoxy)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC507.2 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-12-[(E)-1-[(3R,4R)-4-[(2R)-2-hydroxy-2-naphthalen-2-ylethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC507.32 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2S)-2-(1-Benzothiophen-2-yl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC504.17 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2R)-2-(3,4-Difluorophenyl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC508.65 [1]
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4R)-3-methoxy-4-(3-phenylpropoxy)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC5014.0 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2R)-2-(3,5-Dimethylphenyl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC508.7 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-12-[(E)-1-[(3R,4R)-4-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC505.85 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2S)-2-(3,4-Difluorophenyl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC507.25 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-12-[(E)-1-[(3R,4R)-4-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC504.93 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2S)-2-(3,5-Dimethylphenyl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC507.91 [1]
(1R,9S,12S,13R,14R,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(3R,4R)-4-[(2R)-2-(1-Benzothiophen-2-yl)-2-hydroxyethoxy]-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneIC503.96 [1]
(E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-Ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoic acidIC505000.0 [1]
Ethyl (E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoateIC50363.0 [1]
Methyl (5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhexanoateIC50890.0 [1]
Methylsulfanylmethyl (5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhexanoateIC505000.0 [1]
2-Fluoroethyl (5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhexanoateIC501539.0 [1]
Methyl (E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoateIC50581.0 [1]
2-Fluoroethyl (E,5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhex-2-enoateIC50636.0 [1]
Ethyl (5R,6R)-6-[(2S,5R,11S,14S,17R,20R,23S,26S,29S,32R)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-6-hydroxy-5-methylhexanoateIC50840.0 [1]



References

This online tool may be cited as follows

MLA

"Quest Database™ Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Inhibitors (IC50, Ki)." AAT Bioquest, Inc.21 Dec2024https://www.aatbio.com/data-sets/serine-threonine-protein-phosphatase-2b-catalytic-subunit-alpha-isoform-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024December 21). Quest Database™ Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/serine-threonine-protein-phosphatase-2b-catalytic-subunit-alpha-isoform-inhibitors-ic50-ki.
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