Year |
Citation |
Score |
2023 |
Liu M, Mirza A, McAndrew PC, Thapaliya A, Pierrat OA, Stubbs M, Hahner T, Chessum NEA, Innocenti P, Caldwell J, Cheeseman MD, Bellenie BR, van Montfort RLM, Newton GK, Burke R, ... ... Hoelder S, et al. Determination of Ligand-Binding Affinity () Using Transverse Relaxation Rate () in the Ligand-Observed H NMR Experiment and Applications to Fragment-Based Drug Discovery. Journal of Medicinal Chemistry. PMID 37467168 DOI: 10.1021/acs.jmedchem.3c00758 |
0.594 |
|
2023 |
Harnden AC, Davis OA, Box GM, Hayes A, Johnson LD, Henley AT, de Haven Brandon AK, Valenti M, Cheung KJ, Brennan A, Huckvale R, Pierrat OA, Talbot R, Bright MD, Akpinar HA, ... ... Hoelder S, et al. Discovery of an Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones. Journal of Medicinal Chemistry. PMID 37026591 DOI: 10.1021/acs.jmedchem.3c00155 |
0.337 |
|
2022 |
Pierrat OA, Liu M, Collie GW, Shetty K, Rodrigues MJ, Le Bihan YV, Gunnell EA, McAndrew PC, Stubbs M, Rowlands MG, Yahya N, Shehu E, Talbot R, Pickard L, Bellenie BR, ... ... Hoelder S, et al. Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Scientific Reports. 12: 18633. PMID 36329085 DOI: 10.1038/s41598-022-23264-z |
0.767 |
|
2022 |
Davis OA, Cheung KJ, Brennan A, Lloyd MG, Rodrigues MJ, Pierrat OA, Collie GW, Le Bihan YV, Huckvale R, Harnden AC, Varela A, Bright MD, Eve P, Hayes A, Henley AT, ... ... Hoelder S, et al. Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. Journal of Medicinal Chemistry. PMID 35657291 DOI: 10.1021/acs.jmedchem.1c02174 |
0.375 |
|
2020 |
Darby JF, Vidler LR, Simpson PJ, Al-Lazikani B, Matthews SJ, Sharp SY, Pearl LH, Hoelder S, Workman P. Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches. Scientific Reports. 10: 16000. PMID 32994435 DOI: 10.1038/s41598-020-71969-w |
0.316 |
|
2020 |
Bellenie BR, Cheung KJ, Varela A, Pierrat OA, Collie GW, Box GM, Bright MD, Gowan S, Hayes A, Rodrigues MJ, Shetty KN, Carter M, Davis OA, Henley AT, Innocenti P, ... ... Hoelder S, et al. Achieving Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. Journal of Medicinal Chemistry. PMID 32275432 DOI: 10.1021/Acs.Jmedchem.9B02076 |
0.792 |
|
2019 |
Anderhub SJ, Mak GW, Gurden MD, Faisal A, Drosopoulos K, Walsh K, Woodward HL, Innocenti P, Westwood IM, Naud S, Hayes A, Theofani E, Filosto S, Saville H, Burke R, ... ... Hoelder S, et al. High Proliferation Rate and a Compromised Spindle Assembly Checkpoint Confers Sensitivity to the MPS1 Inhibitor BOS172722 in Triple-Negative Breast Cancers. Molecular Cancer Therapeutics. 18: 1696-1707. PMID 31575759 DOI: 10.1158/1535-7163.Mct-18-1203 |
0.804 |
|
2019 |
Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K, Chesler L, Knapp S, Bellenie B, Hoelder S. Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. Journal of Medicinal Chemistry. PMID 30789735 DOI: 10.1021/Acs.Jmedchem.8B01947 |
0.546 |
|
2018 |
Woodward HL, Innocenti P, Cheung KJ, Hayes A, Roberts J, Henley AT, Faisal A, Mak GW, Box G, Westwood IM, Cronin N, Carter M, Valenti M, De Haven Brandon A, O'Fee L, ... ... Hoelder S, et al. Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722). Journal of Medicinal Chemistry. PMID 30199249 DOI: 10.1021/Acs.Jmedchem.8B00690 |
0.784 |
|
2018 |
Hudson L, Mui J, Vázquez S, Carvalho DM, Williams E, Jones C, Bullock AN, Hoelder S. Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. Journal of Medicinal Chemistry. PMID 30085668 DOI: 10.1021/Acs.Jmedchem.8B00782 |
0.74 |
|
2017 |
Faisal A, Mak GW, Gurden MD, Xavier CP, Anderhub SJ, Innocenti P, Westwood IM, Naud S, Hayes A, Box G, Valenti MR, De Haven Brandon AK, O'Fee L, Schmitt J, Woodward HL, ... ... Hoelder S, et al. Characterisation of CCT271850, a selective, oral and potent MPS1 inhibitor, used to directly measure in vivo MPS1 inhibition vs therapeutic efficacy. British Journal of Cancer. PMID 28334731 DOI: 10.1038/Bjc.2017.75 |
0.805 |
|
2017 |
McGrath S, Tortorici M, Drouin L, Solanki S, Vidler L, Westwood I, Gimeson P, vanMontfort R, Hoelder S. Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28326635 DOI: 10.1002/Chem.201700747 |
0.775 |
|
2017 |
Anderhub SJ, Mak GW, Faisal A, Walsh K, Gurden M, Day L, Innocenti P, Woodward HL, Westwood IM, Cheung KJ, Naud S, Hayes A, Box G, Brandon AdH, Valenti MR, ... ... Hoelder S, et al. Abstract 4036: Induction of detrimental aneuploidy in basal breast cancer cells treated by MPS1 inhibitors in combination with paclitaxel Cancer Research. 77: 4036-4036. DOI: 10.1158/1538-7445.Am2017-4036 |
0.386 |
|
2017 |
Woodward HL, Innocenti P, Cheung KJ, Naud S, Hayes A, Henley AT, Faisal A, Mak G, Box G, Westwood IM, Carter M, Valenti M, Brandon ADH, O’Fee L, Saville H, ... ... Hoelder S, et al. Abstract 193: Inhibitors of MPS1: Discovery of CCT289346, a highly potent, selective and orally available preclinical candidate Cancer Research. 77: 193-193. DOI: 10.1158/1538-7445.Am2017-193 |
0.576 |
|
2016 |
Tisi D, Chiarparin E, Tamanini E, Pathuri P, Coyle JE, Hold A, Holding FP, Martin AC, Rich SJ, Berdini V, Yon J, Acklam P, Burke R, Drouin L, Harmer JE, ... ... Hoelder S, et al. Structure of the Epigenetic Oncogene MMSET & Inhibition by N-Alkyl Sinefungin Derivatives. Acs Chemical Biology. PMID 27571355 DOI: 10.1021/Acschembio.6B00308 |
0.79 |
|
2016 |
Innocenti P, Woodward HL, Solanki S, Naud S, Westwood IM, Cronin N, Hayes A, Roberts J, Henley AT, Baker R, Faisal A, Mak GW, Box G, Valenti M, De Haven Brandon A, ... ... Hoelder S, et al. Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. Journal of Medicinal Chemistry. PMID 27055065 DOI: 10.1021/Acs.Jmedchem.5B01811 |
0.823 |
|
2016 |
Carvalho D, Taylor K, Olaciregui NG, Valenti M, Ruddle R, Henley A, Hayes A, Brandon ADH, MacKay A, Molinari V, Vinci M, Popov S, Brennan P, Moore A, Hudson L, ... Hoelder S, et al. PDTB-20. PRECLINICAL EFFICACY OF ALK2 INHIBITORS IN ACVR1 MUTANT DIPG Neuro-Oncology. 18: vi154-vi154. DOI: 10.1093/Neuonc/Now212.639 |
0.794 |
|
2016 |
Carvalho D, Taylor K, Olaciregui NG, Valenti M, Ruddle R, Henley A, Hayes A, Brandon ADH, Hallsworth A, Mackay A, Molinari V, Vinci M, Popov S, Boudhar A, Brennan P, ... ... Hoelder S, et al. HG-67PRECLINICAL EFFICACY OF ALK2 INHIBITORS IN ACVR1 MUTANT DIPG Neuro-Oncology. 18: iii63.1-iii63. DOI: 10.1093/Neuonc/Now073.63 |
0.79 |
|
2015 |
Gurden MD, Westwood IM, Faisal A, Naud S, Cheung KM, McAndrew C, Wood A, Schmitt J, Boxall K, Mak G, Workman P, Burke R, Hoelder S, Blagg J, Van Montfort RL, et al. Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Research. 75: 3340-54. PMID 26202014 DOI: 10.1158/0008-5472.Can-14-3272 |
0.432 |
|
2015 |
Drouin L, McGrath S, Vidler LR, Chaikuad A, Monteiro O, Tallant C, Philpott M, Rogers C, Fedorov O, Liu M, Akhtar W, Hayes A, Raynaud F, Müller S, Knapp S, ... Hoelder S, et al. Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B. Journal of Medicinal Chemistry. 58: 2553-9. PMID 25719566 DOI: 10.1021/Jm501963E |
0.811 |
|
2015 |
Innocenti P, Woodward H, O'Fee L, Hoelder S. Expanding the scope of fused pyrimidines as kinase inhibitor scaffolds: synthesis and modification of pyrido[3,4-d]pyrimidines. Organic & Biomolecular Chemistry. 13: 893-904. PMID 25407826 DOI: 10.1039/C4Ob02238F |
0.802 |
|
2015 |
Pawlyn C, Chambers T, Macleod V, Sappington D, Buros A, Stein CK, Kaiser MF, Burke R, Hoelder S, Boysen G, Edmondson RD, Morgan GJ, Davies FE. Identifying Targets for Therapy in High Risk t(4;14) Myeloma Using Multi-Level Molecular and Phenotypic Analysis of Isogenic MMSET and MMSET Knock out Cell Lines Blood. 126: 1792-1792. DOI: 10.1182/Blood.V126.23.1792.1792 |
0.388 |
|
2015 |
Gurden MD, Westwood I, Faisal A, Naud S, Cheung J, McAndrew C, Wood A, Schmitt J, Boxall K, Mak G, Workman P, Burke R, Hoelder S, Blagg J, Montfort RV, et al. Abstract 5450: Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug-resistance Cancer Research. 75: 5450-5450. DOI: 10.1158/1538-7445.Am2015-5450 |
0.677 |
|
2015 |
Innocenti P, Woodward H, Cheung KJ, Naud S, Solanki S, Westwood IM, Faisal A, Hayes A, Schmitt J, Baker R, Matijssen B, Burke R, Eccles SA, Raynaud FI, Linardopoulos S, ... ... Hoelder S, et al. Abstract 3642: Structure enabled design of inhibitors of the mitotic kinase MPS1 Cancer Research. 75: 3642-3642. DOI: 10.1158/1538-7445.Am2015-3642 |
0.824 |
|
2013 |
Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V, Atrash B, Cheung KM, Liu M, Hayes A, Schmitt J, Wood A, Choi V, Boxall K, Mak G, Gurden M, ... ... Hoelder S, et al. Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1). Journal of Medicinal Chemistry. 56: 10045-65. PMID 24256217 DOI: 10.1021/Jm401395S |
0.548 |
|
2013 |
Vidler LR, Filippakopoulos P, Fedorov O, Picaud S, Martin S, Tomsett M, Woodward H, Brown N, Knapp S, Hoelder S. Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening. Journal of Medicinal Chemistry. 56: 8073-88. PMID 24090311 DOI: 10.1021/Jm4011302 |
0.786 |
|
2013 |
Silva-Santisteban MC, Westwood IM, Boxall K, Brown N, Peacock S, McAndrew C, Barrie E, Richards M, Mirza A, Oliver AW, Burke R, Hoelder S, Jones K, Aherne GW, Blagg J, et al. Fragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2. Plos One. 8: e65689. PMID 23776527 DOI: 10.1371/Journal.Pone.0065689 |
0.528 |
|
2013 |
Faisal A, Innocenti P, Westwood I, Naud S, Schmitt J, Hayes A, Mak G, Gurden M, Bavetsias V, Cheung J, Woodward H, Sheldrake P, Atrash B, Burke R, Baker R, ... ... Hoelder S, et al. Abstract 3242: CCT271850, a novel, selective, highly potent and orally bioavailable Mps1 kinase inhibitor. Cancer Research. 73: 3242-3242. DOI: 10.1158/1538-7445.Am2013-3242 |
0.822 |
|
2012 |
Vidler LR, Brown N, Knapp S, Hoelder S. Druggability analysis and structural classification of bromodomain acetyl-lysine binding sites. Journal of Medicinal Chemistry. 55: 7346-59. PMID 22788793 DOI: 10.1021/Jm300346W |
0.419 |
|
2012 |
Wylie L, Innocenti P, Whelligan DK, Hoelder S. Synthesis of amino-substituted indoles using the Bartoli reaction. Organic & Biomolecular Chemistry. 10: 4441-7. PMID 22565609 DOI: 10.1039/C2Ob25256B |
0.591 |
|
2012 |
Hoelder S, Clarke PA, Workman P. Discovery of small molecule cancer drugs: successes, challenges and opportunities. Molecular Oncology. 6: 155-76. PMID 22440008 DOI: 10.1016/J.Molonc.2012.02.004 |
0.341 |
|
2012 |
Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S. Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. Journal of Medicinal Chemistry. 55: 3228-41. PMID 22404346 DOI: 10.1021/Jm201683B |
0.738 |
|
2012 |
Haegebarth A, Politz O, Liu N, Ince S, Neuhaus R, Boemer U, Gekeler V, Hoelder S, Zuelch A, Mumberg D, Brands M, Ziegelbauer K. Abstract 3751: In vitro and in vivo pharmacological profile of BAY 1001931, a novel highly potent allosteric AKT1/2 inhibitor Cancer Research. 72: 3751-3751. DOI: 10.1158/1538-7445.Am2012-3751 |
0.42 |
|
2012 |
Faisal A, Naud S, Schmitt J, Westwood I, Hayes A, Gurden M, Bavetsias V, Berry T, Mak G, Innocenti P, Cheung J, Sheldrake P, Atrash B, Sun C, Matijssen B, ... ... Hoelder S, et al. Abstract 1817: Characterisation of CCT251455, a novel, selective and highly potent Mps1 kinase inhibitor Cancer Research. 72: 1817-1817. DOI: 10.1158/1538-7445.Am2012-1817 |
0.793 |
|
2011 |
Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S. Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship. Journal of Medicinal Chemistry. 54: 1626-39. PMID 21366329 DOI: 10.1021/Jm1011726 |
0.721 |
|
2011 |
Darby JF, Vidler L, Simpson PJ, Sharp S, Prodromou C, Matthews S, Hoelder S, Pearl L, Workman P. Abstract B99: Targeting TPR cochaperones of the Hsp90 molecular chaperone complex for specific inhibition. Molecular Cancer Therapeutics. 10. DOI: 10.1158/1535-7163.Targ-11-B99 |
0.513 |
|
2010 |
Whelligan DK, Solanki S, Taylor D, Thomson DW, Cheung KM, Boxall K, Mas-Droux C, Barillari C, Burns S, Grummitt CG, Collins I, van Montfort RL, Aherne GW, Bayliss R, Hoelder S. Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. Journal of Medicinal Chemistry. 53: 7682-98. PMID 20936789 DOI: 10.1021/jm1008727 |
0.488 |
|
2009 |
Richards MW, O'Regan L, Mas-Droux C, Blot JM, Cheung J, Hoelder S, Fry AM, Bayliss R. An autoinhibitory tyrosine motif in the cell-cycle-regulated Nek7 kinase is released through binding of Nek9. Molecular Cell. 36: 560-70. PMID 19941817 DOI: 10.1016/J.Molcel.2009.09.038 |
0.694 |
|
2006 |
Vogtherr M, Saxena K, Hoelder S, Grimme S, Betz M, Schieborr U, Pescatore B, Robin M, Delarbre L, Langer T, Wendt KU, Schwalbe H. NMR characterization of kinase p38 dynamics in free and ligand-bound forms. Angewandte Chemie (International Ed. in English). 45: 993-7. PMID 16374788 DOI: 10.1002/Anie.200502770 |
0.31 |
|
2006 |
Vogtherr M, Saxena K, Hoelder S, Grimme S, Betz M, Schieborr U, Pescatore B, Robin M, Delarbre L, Langer T, Wendt KU, Schwalbe H. Charakterisierung der Dynamik der Kinase p38 in freiem und ligandgebundenem Zustand durch NMR-Spektroskopie Angewandte Chemie. 118: 1008-1012. DOI: 10.1002/Ange.200502770 |
0.34 |
|
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