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5AAU
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OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-28
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAV
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OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5ACC
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A NOVEL ORAL SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATOR, AZD9496, DRIVES TUMOUR GROWTH INHIBITION IN ESTROGEN RECEPTOR POSITIVE AND ESR1 MUTANT MODELS
Descriptor:ESTROGEN RECEPTOR, (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID
Authors:Norman, R.A., Weir, H.M., Bradbury, R.H., Lawson, M., Rabow, A.A., Buttar, D., Callis, R.J., Curwen, J.O., de Almeida, C., Ballard, P., Hulse, M., Donald, C.S., Feron, L.J.L., Gingell, H., Karoutchi, G., MacFaul, P., Moss, T., Pearson, S.E., Tonge, M., Davies, G., Walker, G.E., Wilson, Z., Rowlinson, R., Powell, S., Hemsley, P., Linney, E., Campbell, H., Ghazoui, Z., Sadler, C., Richmond, G., Pazolli, E., Mazzola, A.M., DCruz, C., De Savi, C.
Deposit date:2015-08-15
Release date:2015-12-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
4GV1
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PKB ALPHA IN COMPLEX WITH AZD5363
Descriptor:RAC-alpha serine/threonine-protein kinase, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL
Authors:Addie, M., Ballard, P., Bird, G., Buttar, D., Currie, G., Davies, B., Debreczeni, J., Dry, H., Dudley, P., Greenwood, R., Hatter, G., Jestel, A., Johnson, P.D., Kettle, J.G., Lane, C., Lamont, G., Leach, A., Luke, R.W.A., Ogilvie, D., Page, K., Pass, M., Steinbacher, S., Steuber, H., Pearson, S., Ruston, L.
Deposit date:2012-08-30
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
4D2R
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HUMAN IGF IN COMPLEX WITH A DYRK1B INHIBITOR
Descriptor:INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR, CHLORIDE ION, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Authors:Debreczeni, J.E., Kettle, J.G., Ballard, P., Bardelle, C., Butterworth, S., Colclough, N., Crichlow, S., Fairley, G., Fillery, S., Graham, M.A., Goodwin, L., Guichard, S., Hudson, K., Mahmood, A., Vincent, J., Ward, R.A., Whittaker, D.
Deposit date:2014-05-12
Release date:2015-04-22
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
4D2S
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HUMAN TTK IN COMPLEX WITH A DYRK1B INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Authors:Debreczeni, J.E., Kettle, J.G., Ballard, P., Bardelle, C., Butterworth, S., Colclough, N., Crichlow, S., Fairley, G., Fillery, S., Graham, M.A., Goodwin, L., Guichard, S., Hudson, K., Mahmood, A., Vincent, J., Ward, R.A., Whittaker, D.
Deposit date:2014-05-12
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
2WQB
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STRUCTURE OF THE TIE2 KINASE DOMAIN IN COMPLEX WITH A THIAZOLOPYRIMIDINE INHIBITOR
Descriptor:ANGIOPOIETIN-1 RECEPTOR, 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE
Authors:Brassington, C., Breed, J., Buttar, D., Fitzek, M., Forder, C., Hassall, L., Hayter, B.R., Jones, C.D., Luke, R.W.A., McCall, E., McCoull, W., Norman, R., Paterson, D., McMiken, H., Rowsell, S., Tucker, J.A.
Deposit date:2009-08-18
Release date:2009-11-03
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
5FQP
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SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR ANTAGONISTS: TETRAHYDROISOQUINOLINE PHENOLS 1.
Descriptor:ESTROGEN RECEPTOR ALPHA, (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
Authors:Scott, J.S., bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQR
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SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR ANTAGONISTS: TETRAHYDROISOQUINOLINE PHENOLS 2.
Descriptor:ESTROGEN RECEPTOR, (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID
Authors:Scott, J.S., bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQS
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SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR ANTAGONISTS: TETRAHYDROISOQUINOLINE PHENOLS 3.
Descriptor:ESTROGEN RECEPTOR, (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
Authors:Scott, J.S., bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQT
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SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR ANTAGONISTS: TETRAHYDROISOQUINOLINE PHENOLS 4.
Descriptor:ESTROGEN RECEPTOR ALPHA, (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
Authors:Scott, J.S., Bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5FQV
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SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR ANTAGONISTS: TETRAHYDROISOQUINOLINE PHENOLS 5.
Descriptor:ESTROGEN RECEPTOR ALPHA, (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
Authors:Scott, J.S., bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016