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Yi Mok
Yi Mok
BenevolentAI
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On the origins of three-dimensionality in drug-like molecules
J Meyers, M Carter, NY Mok, N Brown
Future Medicinal Chemistry 8 (14), 1753-1767, 2016
1252016
8-Substituted Pyrido [3, 4-d] pyrimidin-4 (3 H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors
V Bavetsias, RM Lanigan, GF Ruda, B Atrash, MG McLaughlin, A Tumber, ...
Journal of medicinal chemistry 59 (4), 1388-1409, 2016
1052016
Mining the ChEMBL database: an efficient chemoinformatics workflow for assembling an ion channel-focused screening library
NY Mok, R Brenk
Journal of chemical information and modeling 51 (10), 2449-2454, 2011
592011
A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors
JR Harrison, S Brand, V Smith, DA Robinson, S Thompson, A Smith, ...
Journal of medicinal chemistry 61 (18), 8374-8389, 2018
502018
Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening
NY Mok, J Chadwick, KAB Kellett, NM Hooper, AP Johnson, ...
Bioorganic & medicinal chemistry letters 19 (23), 6770-6774, 2009
422009
Locating sweet spots for screening hits and evaluating pan-assay interference filters from the performance analysis of two lead-like libraries
NY Mok, S Maxe, R Brenk
Journal of chemical information and modeling 53 (3), 534-544, 2013
292013
Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design
NY Mok, J Chadwick, KAB Kellett, E Casas-Arce, NM Hooper, ...
Journal of medicinal chemistry 56 (5), 1843-1852, 2013
272013
Binding to an unusual inactive kinase conformation by highly selective inhibitors of inositol-requiring enzyme 1α kinase-endoribonuclease
G Colombano, JJ Caldwell, TP Matthews, C Bhatia, A Joshi, T McHardy, ...
Journal of medicinal chemistry 62 (5), 2447-2465, 2019
252019
Increasing the coverage of medicinal chemistry-relevant space in commercial fragments screening
NY Mok, R Brenk, N Brown
Journal of chemical information and modeling 54 (1), 79, 2014
232014
Privileged Structures and Polypharmacology within and between Protein Families
J Meyers, NEA Chessum, S Ali, NY Mok, B Wilding, AE Pasqua, ...
ACS medicinal chemistry letters 9 (12), 1199-1204, 2018
202018
C8-substituted pyrido [3, 4-d] pyrimidin-4 (3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 …
YV Le Bihan, RM Lanigan, B Atrash, MG McLaughlin, S Velupillai, ...
European journal of medicinal chemistry 177, 316-337, 2019
162019
HSF1 Pathway Inhibitor Clinical Candidate (CCT361814/NXP800) Developed from a Phenotypic Screen as a Potential Treatment for Refractory Ovarian Cancer and Other Malignancies
AE Pasqua, SY Sharp, NEA Chessum, A Hayes, L Pellegrino, MJ Tucker, ...
Journal of Medicinal Chemistry 66 (8), 5907-5936, 2023
132023
Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information
NY Mok, N Brown
J. Chem. Inf. Model 57 (1), 27-35, 2017
132017
Optimisation of the Anti‐Trypanosoma brucei Activity of the Opioid Agonist U50488
VC Smith, LAT Cleghorn, A Woodland, D Spinks, I Hallyburton, IT Collie, ...
ChemMedChem 6 (10), 1832-1840, 2011
102011
Pyrido[3,4-d]pyrimidin-4(3H)-one metabolism mediated by aldehyde oxidase is blocked by C2-substitution
A Hayes, NY Mok, M Liu, C Thai, AT Henley, B Atrash, RM Lanigan, ...
Xenobiotica 47 (9), 771-777, 2017
72017
Metabolism of the dual FLT-3/Aurora kinase inhibitor CCT241736 in preclinical and human in vitro models: Implication for the choice of toxicology species
FL Wood, S Shepherd, A Hayes, M Liu, K Grira, Y Mok, B Atrash, A Faisal, ...
European Journal of Pharmaceutical Sciences 139, 104899, 2019
62019
Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery
D Dolciami, RM Ziolek, DW Davies, M Carter, NY Mok, R Sherhod
Journal of Chemical Information and Modeling 64 (6), 1966-1974, 2024
42024
Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity
K Jones, M Cheeseman, N Chessum, E Pasqua, L Evans, M Tucker, ...
WO Patent WO2016/156,872, 2018
42018
Protein Structure-informed Molecular Fragment Replacement with InteractionDB
G Mattedi, M Gatti Iou, A Potterton, Y Mok
Proceedings of the Ninth Joint Sheffield Conference on Chemoinformatics …, 2023
2023
New benzamide compounds as c-ABL inhibitors and methods for their preparation and use

R Paul, M Rackham, Y Mok, M Vass, J Meyers, A Cronin, A Mandal
WO Patent WO/2020/260,871, 2020
2020
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