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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
4BB5
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FREE-WILSON AND STRUCTURAL APPROACHES TO CO-OPTIMISING HUMAN AND RODENT ISOFORM POTENCY FOR 11B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 11B-HSD1 INHIBITORS
Descriptor:CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
Authors:Goldberg, F.W., Leach, A.G., Scott, J.S., Snelson, W.L., Groombridge, S.D., Donald, C.S., Bennett, S.N.L., Bodin, C., Morentin Gutierrez, P., Gyte, A.C.
Deposit date:2012-09-20
Release date:2012-11-28
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
4BB6
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FREE-WILSON AND STRUCTURAL APPROACHES TO CO-OPTIMISING HUMAN AND RODENT ISOFORM POTENCY FOR 11B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 11B-HSD1 INHIBITORS
Descriptor:CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, ...
Authors:Goldberg, F.W., Leach, A.G., Scott, J.S., Snelson, W.L., Groombridge, S.D., Donald, C.S., Bennett, S.N.L., Bodin, C., Morentin Gutierrez, P., Gyte, A.C.
Deposit date:2012-09-20
Release date:2012-11-28
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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
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:2020-03-11
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
170172
PDB entries from 2020-10-21