Kim, N.; Shin, I.; Lee, J.; Jeon, E.; Kim, Y.; Ryu, S.; Ju, E.; Cho, W.; Sim, T.

Novel and Potent Small Molecules against Melanoma Harboring BRAF Class I/II/III Mutants for Overcoming Drug Resistance.

Int. J. Mol. Sci. 2021, 22, 3783.

Kim, Y.; Sengupta, S.; Sim, T*.

Natural and Synthetic Lactones Possessing Antitumor Activities.

Int. J. Mol. Sci. 2021, 22, 1052.


Donovan KA, Ferguson FM, Bushman JW, Eleuteri NA, Bhunia D, Ryu S, Tan L, Shi K, Yue H, Liu X, Dobrovolsky D, Jiang B, Wang J, Hao M, You I, Teng M, Liang Y, Hatcher J, Li Z, Manz TD, Groendyke B, Hu W, Nam Y, Sengupta S, Cho H, Shin I, Agius MP, Ghobrial IM, Ma MW, Che J, Buhrlage SJ, Sim T*, Gray NS*, Fischer ES*. 

Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development.

Cell. 2020, 183, 1-18.

SH Choi, I Shin, N Kim, Y Nam, T Sim*.

The first small molecules capable of strongly suppressing proliferation of cancer cells harboring BRAF class I/II/III mutations.

Biochem Biophys Res Commun. 2020, 532, 315-320.

S Choi, SS Ryu, K Sim, C Song, I Shin, SS Kim, YS Lee, JY Park, T Sim*.

Anti-glioma effects of 2-aminothiophene-3-carboxamide derivatives, ANO1 channel blockers.

Eur J Med Chem. 2020, 208, 112688.

JW Choi, SH Choi, ST Hong, MS Kim, SS Ryu, YU Yoon, KC Paik, MS Han, T Sim, BR Cho*.

Two-photon probes for the endoplasmic reticulum: its detection in a live tissue by two-photon microscopy.

Chem Comm. 2020, 56, 3657-3660.


C Song, S Choi, KB Oh, T Sim*.

Suppression of TRPM7 enhances TRAIL‐induced apoptosis in triple‐negative breast cancer cells.

J Cell Physiol. 2020, 235, 10037-10050.

Ferguson FM, Nabet B, Raghavan S, Liu Y, Leggett AL, Kuljanin M, Kalekar RL, Yang A, He S, Wang J, Ng RWS, Sulahian R, Li L, Poulin EJ, Huang L, Koren J, Dieguez-Martinez N, Espinosa S, Zeng Z, Corona CR, Vasta JD, Ohi R, Sim T, Kim ND, Harshbarger W, Lizcano JM, Robers MB, Muthaswamy S, Lin CY, Look AT, Haigis KM, Mancias JD, Wolpin BM, Aguirre AJ, Hahn WC, Westover KD, Gray NS*.
Discovery of a selective inhibitor of doublecortin like kinase 1.
Nature Chem Biol. 2020, 16, 635-643.



Han Y, Sengupta S, Lee BJ, Cho H, Kim J, Choi HG, Dash U, Kim JH, Kim ND, Kim JH*, Sim T*.

Identification of a Unique Resorcylic Acid Lactone Derivative That Targets Both Lymphangiogenesis and Angiogenesis.

J Med Chem. 2019, 62, 9141-9160.

Cho H, Shin I, Cho K, Yoon H, Yoo EK, Kim MJ, Park S, Lee IK, Kim ND, Sim T*.

Identification of Novel Resorcinol Amide Derivatives as Potent and Specific Pyruvate Dehydrogenase Kinase (PDHK) Inhibitors.

J Med Chem. 2019, 62, 8461-8479.

Shin HJ, Lee JH, Kim YD, Shin I, Sim T, Lim DK*.

Raman-Based in Situ Monitoring of Changes in Molecular Signatures during Mitochondrially Mediated Apoptosis.

ACS Omega. 2019, 4, 8188-8195.

Nam Y, Hwang D, Kim N, Seo HS, Selim KB, Sim T*.

Identification of 1H-pyrazolo[3,4-b]pyridine derivatives as potent ALK-L1196M inhibitors.

J Enzyme Inhib Med Chem. 2019, 34, 1426-1438. .

Ferguson FM, Doctor ZM, Ficarro SB, Marto JA, Kim ND, Sim T, Gray NS*.

Synthesis and structure activity relationships of a series of 4-amino-1H-pyrazoles as covalent inhibitors of CDK14.

Bioorg Med Chem Lett. 2019, 29, 1985-1993.

Song GJ, Rahman MH, Jha MK, Gupta DP, Park SH, Kim JH, Lee SH, Lee IK, Sim T, Bae YC, Lee WH, Suk K.

A Bcr-Abl Inhibitor GNF-2 Attenuates Inflammatory Activation of Glia and Chronic Pain.

Front Pharmacol. 2019, 10, 543.

Rao S, Gurbani D, Du G, Everley RA, Browne CM, Chaikuad A, Tan L, Schröder M, Gondi S, Ficarro SB, Sim T, Kim ND, Berberich MJ, Knapp S, Marto JA, Westover KD, Sorger PK, Gray NS.

Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.

Cell Chem Biol. 2019, 26, 818-829.e9.

Ferguson FM, Doctor ZM, Ficarro SB, Browne CM, Marto JA, Johnson JL, Yaron TM, Cantley LC, Kim ND, Sim T, Berberich MJ, Kalocsay M, Sorger PK, Gray NS.

Discovery of Covalent CDK14 Inhibitors with Pan-TAIRE Family Specificity.

Cell Chem Biol. 2019, 26, 804-817.e12

Olson CM, Liang Y, Leggett A, Park WD, Li L, Mills CE, Elsarrag SZ, Ficarro SB, Zhang T, Düster R, Geyer M, Sim T, Marto JA, Sorger PK, Westover KD, Lin CY, Kwiatkowski N, Gray NS.

Development of a Selective CDK7 Covalent Inhibitor Reveals Predominant Cell-Cycle Phenotype.

Cell Chem Biol. 2019, 26, 792-803.e10

Song C, Kim N, Park M, Lee J, Oh KB, Sim T.

Procaspase activating compound 1 controls tetracycline repressor-regulated gene expression system.

Biosci Rep. 2019, 39, pii: BSR20180793.


Choi MJ, Roh EJ, Hur W, Lee SH, Sim T, Oh CH, Lee SH, Kim JS, Yoo KH*.

Design, synthesis, and biological evaluation of novel aminopyrimidinylisoindolines as AXL kinase inhibitors.

Bioorg Med Chem Lett. 2018, 28, 3761-3765.

Hanna Cho, Injae Shin, Eunhye Ju, Seunghye Choi, Wooyoung Hur, Haelee Kim, Eunmi Hong, Nam Doo Kim, Hwan Geun Choi, Nathanael S. Gray, and Taebo Sim*

First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.

J Med Chem. 2018, 61, 8353-8373

Wang J, Erazo T, Ferguson FM, Buckley DL, Gomez N, Muñoz-Guardiola P, Diéguez-Martínez N, Deng X, Hao M, Massefski W, Fedorov O, Offei-Addo NK, Park PM, Dai L, DiBona A, Becht K, Kim ND, McKeown MR, Roberts JM, Zhang J, Sim T, Alessi DR, Bradner JE, Lizcano JM, Blacklow SC, Qi J, Xu X*, Gray NS*.

Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.

ACS Chem Biol. 2018, 13, 2438-2448.

Hatcher JM, Wang ES, Johannessen L, Kwiatkowski N, Sim T, Gray NS*.

Development of Highly Potent and Selective Steroidal Inhibitors and Degraders of CDK8.

ACS Med Chem Lett. 2018, 9, 540-545.

Eun-Kyung Bang, Hanna Cho, Sean S.-H. Jeon, Na Ly Tran, Dong-Kwon Lim, Wooyoung Hur*, Taebo Sim*

Amphiphilic small peptides for delivery of plasmid DNAs and siRNAs

Chem Biol Drug Des. 2018, 91, 575–587



Sandip Sengupta, Munhyung Bae, Dong-Chan Oh, Uttam Dash, Hak Joong Kim, Woon Young Song, Injae Shin, and Taebo Sim*

Structural Revision of Baulamycin A and Structure-Activity Relationships of Baulamycin A Derivatives.

J. Org. Chem. 2017, 82, 12947−12966

Fleur M. Ferguson, Zainab M. Doctor, Apirat Chaikuad, Taebo Sim, Nam Doo Kim, Stefan Knapp, Nathanael S. Gray*

Characterization of a highly selective inhibitor of the Aurora kinases

Bioorg Med Chem Lett. 2017, 27, 4405-4408.

Gyoyeon Hwang, Hyeonhye Kim, Hojong Yoon, Chiman Song, Dong-Kwon Lim, Taebo Sim*, and Jiyeon Lee*

In situ imaging of quantum dot-AZD4547 conjugates for tracking the dynamic behavior of fibroblast growth factor receptor 3.

Int J Nanomedicine. 2017, 12, 5345-5357

Chiman Song, Yeonju Bae, JinJoo Jun, Hyomin Lee, Nam Doo Kim, Kyung-Bok Lee, Wooyoung Hur, Jae-Yong Park, Taebo Sim*

Identification of TG100-115 as a new and potent TRPM7 kinase inhibitor, which suppresses breast cancer cell migration and invasion.

Biochim Biophys Acta. 2017, 1861, 947-957

Sandip Sengupta, Hak Joong Kim, Kyung Seon Cho, Woon Young Song, Taebo Sim*

Highly stereoselective synthesis of mupirocin H.

Tetrahedron. 2017, 73, 1182-11891

Hanna Cho, Sandip Sengupta, Sean SH Jeon, Wooyoung Hur, Hwan Geun Choi, Hong-Seog Seo, Byung Joo Lee, Jeong Hun Kim, Minhwan Chung, Noo Li Jeon, Nam Doo Kim, Taebo Sim*

Identification of the First Selective Activin Receptor-Like Kinase 1 Inhibitor, a Reversible Version of L-783277.

J Med Chem. 2017, 23, 1495-1508

Curtis R. Chong, Magda Bahcall, Marzia Capelletti, Takayuki Kosaka, Dalia Ercan, Taebo Sim, Lynette M. Sholl, Mizuki Nishino, Bruce E. Johnson a, Nathanael S. Gray*, and Pasi A. Jänne* 

Identification of existing drugs that effectively target NTRK1- and ROS1-rearrangements in lung cancer.

Clin. Cancer Res. 2017, 23, 204-213

Hojong Yoon, Injae Shin, Yunju Nam, Nam Doo Kim, Kyung-Bok Lee, Taebo Sim*

Identification of a novel 5-amino-3-(5-cyclopropylisoxazol-3-yl)-1-isopropyl-1H-pyrazole-4-carboxamide as a specific RET kinase inhibitor

Eur J Med Chem. 2017, 5, 1145-1155


Yuan Xiong, Jia Lu, John Hunter, Lianbo Li, David Scott, Hwan Geun Choi, Sang Min Lim, Anuj Manandhar, Sudershan R Gondi, Taebo Sim, Kenneth Dale Westover*, Nathanael S Gray*

Covalent guanosine mimetic inhibitors of G12C KRAS

ACS Med. Chem. Lett. 2016, 8, 61-66

Magda Bahcall, Taebo Sim, Cloud P Paweletz, Jyoti D Patel, Ryan S Alden, Yanan Kuang, Adrian G Sacher, Nam Doo Kim, Christine A Lydon, Mark M Awad, Michael T Jaklitsch, Lynette M Sholl, Pasi A Jänne, Geoffrey R Oxnard*

Acquired METD1228V mutation and resistance to MET inhibition in lung cancer.

Cancer Discov. 2016, 6, 1334-1341

Fleur M. Ferguson, Jing Ni, Tinghu Zhang, Bethany Tesar, Taebo Sim, Nam Doo Kim, Xianming Deng, Jennifer R. Brown, Jean J. Zhao*, and Nathanael S. Gray*

Discovery fo a Series of 5,11-Dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-ones as Selective PI3K-delta/gamma Inhibitors.

ACS Med. Chem. Lett. 2016, 7, 908-912

Jung Hun Kim, Yeonui Kwak, Chiman Song, Eun Joo Roh, Chang-Hyun Oh, So Ha Lee, Taebo Sim, Jung Hoon Choi, Kyung Ho Yoo*

Synthesis of novel arylaminoquinazolinylurea derivatives and their antiproliferative activities against bladder cancer cell line

Bioorg Med Chem. Lett. 2016, 15, 5082-5086

Curtis R. Chong, Magda Bahcall, Marzia Capelletti, Takayuki Kosaka, Dalia Ercan, Taebo Sim, Lynette M. Sholl, Mizuki Nishino, Bruce E. Johnson a, Nathanael S. Gray*, and Pasi A. Jänne* 

Identification of existing drugs that effectively target NTRK1- and ROS1-rearrangements in lung cancer.

Clin. Cancer Res. 2016, july

Thomas B. Sundberg, Yanke Liang, Huixian Wu, Hwan Geun Choi, Nam Doo Kim, Taebo Sim, Liv Johannessen, Adam Petrone, Bernard Khor, Daniel B. Graham, Isabel J. Latorre, Andrew J. Phillips, Stuart L. Schreiber, Jose Perez, Alykhan F. Shamji, Nathanael S. Gray*, and Ramnik J. Xavier*

Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo.

ACS Chem. Biol. 2016, 11, 2015-2111

John M. Hatcher, Ellen Weisberg, Taebo Sim, Richard M. Stone, Suiyang Liu, James D. Griffin*, and Nathanael S. Gray*

Discovery of a Highly Potent and Selective Indenoindolone Type 1 Pan-FLT3 Inhibitor.

ACS Med. Chem. Lett. 2016, 7, 476-481

Hojong Yoon, Yeonui Kwak, Seunghye Choi, Hanna Cho, Nam Doo Kim, Taebo Sim*

A Pyrazolo[3,4-d]pyrimidin-4-amine Derivative Containing an Isoxazole Moiety is a Selective and Potent Inhibitor of RET Gatekeeper Mutants

J. Med. Chem. 2016, 59, 358-373

Do-Hee Kim, Yeonui Kwak, Nam Doo Kim, Taebo Sim*

Antitumor effects and molecular mechanisms of ponatinib on endometrial cancer cells harboring activating FGFR2 mutations

Cancer. Biol. Ther. 2016, 17, 65-78


John M. Hatcher, Magda Bahcall, Hwan Geun Choi, Yang Gao, Taebo Sim, Rani George, Pasi A. Jänne, and Nathanael S. Gray*

Discovery of Inhibitors That Overcome the G1202R Anaplastic Lymphoma Kinase Resistance Mutation

J. Med. Chem. 2015, 58, 9296-9308

Yeonui Kwak, Hanna Cho, Wooyoung Hur, and Taebo Sim*

Antitumor Effects and Mechanisms of AZD4547 on FGFR2-Deregulated Endometrial Cancer Cells

Mol. Cancer. Ther. 2015, 14, 2292-2302


Sang Min Lim, Ting Xie, Kenneth D. Westover, Scott B. Ficarro, Hyun Seop Tae, Deepak Gurbani, Taebo Sim, Jarrod A. Marto, Pasi A. Janne, Craig M. Crews, Nathanael S. Gray*

Development of small molecules targeting the pesudokinase Her3

Bioorg. Med. Chem. Lett. 2015, 25, 3382-3389


Uttam Dash, Sandip Sengupta, and Taebo Sim*

A Concise and Efficient Total Synthesis of Militarinone D

Eur. J. Org. Chem. 2015, 18, 3963-3970


Atsushi Nonami, Martin Sattler, Ellen Weisberg, Qingsong Liu, Jianming Zhang, Matthew P. Patricelli, Amanda L. Christie, Amy M. Saur, Nancy E. Kohl, Andrew L. Kung, Hojong Yoon, Taebo Sim*, Nathanael S. Gray*, and James D. Griffin

Identification of novel therapeutic targets in acute leukemias with NRAS mutations using a pharmacological approach

Blood. 2015, 125, 3133-3143


Yeonsun Hong, Sandip Sengupta, Wooyoung Hur*, Taebo Sim*

Identification of Novel ROS Inducers, Quinone Derivatives Tethered with Long Hydrocarbon Chains

J. Med. Chem. 2015, 58, 3739-3750


Ahmed Elkamhawy, Jung-eun Park, Nam-Chul Cho, Taebo Sim, Ae Nim Pae, and Eun Joo Roh*

Discovery of a broad spectrum antiproliferative agent with selectivity for DDR1 kinase: cell line-based assay, kinase panel, molecular docking, and toxicity studies

J. Enzyme. Inhib. Med. Chem. 2015, 25, 1-9


Jiyeon Lee*, Gyoyeon Hwang, Yeon Sun Hong, Taebo Sim*

One step synthesis of quantum dot-magnetic nanoparticle heterodimers for dual modal imaging applications

Analyst. 2015, 140, 2864-2868


Udayakumar Karunakaran, Si Jun Park, Do Youn Jun, Taebo Sim, Keun-Gyu Park, Myoung Ok Kim, In Kyu Lee*

Non-receptor tyrosine kinase inhibitors enhances β-cell survival by suppressing the PKCδ signal transduction pathway in streptozotocin – induced β-cell apoptosis

Cell. Signal. 2015, 27, 1066-1074


Ahmed Z. Abdelazem, Mohammad M. Al-Sanea, Byung Sun Park, Hye Mi Park, Kyung Ho Yoo, Taebo Sim, Jong Bae Park, Seung-Hoon Lee, So Ha Lee*

Synthesis and biological evaluation of new pyrazol-4-ylpyrimidine derivatives as potential ROS1 kinase inhibitors

Eur. J. Med. Chem. 2015, 90, 195-208



Jamie A. Moroco, Matthew P. Baumgartner, Heather L. Rust, Hwan Geun Choi, Wooyoung Hur, Nathanael S. Gray, Carlos J. Camacho and Thomas E. Smithgall*

A Discovery Strategy for Selective Inhibitors of c-Src in Complex with the Focal Adhesion Kinase SH3/SH2-binding Region

Chem. Biol. Drug. Des. 2014, doi: 10.1111/cbdd.12473


Jeongmin Joo, Zhexue Wu, Boram Lee, Jong Cheol Shon, Taeho Lee, In-Kyu Lee, Taebo Sim, Kyung-Hee Kim, Nam Doo Kim, Seong Heon Kim*, Kwang-Hyeon Liu*

In vitro metabolism of an estrogen-related receptor γ modulator, GSK5182, by human liver microsomes and recombinant cytochrome P450s

Biopharm. Drug. Dispos. 2014, doi: 10.1002/bdd.1929


Jun A Lee, Eun Joo Roh, Chang-Hyun Oh, So Ha Lee, Taebo Sim, Jong Seung Kim, and Kyung Ho Yoo*

Synthesis of quinolinylaminopyrimidines and quinazolinylmethylaminopyrimidines with antiproliferative activity against melanoma cell line.

J. Enzyme. Inhib. Med. Chem. 2014, 28, 1-8


Adam S. Crystal, Alice T. Shaw, Lecia V. Sequist, Luc Friboulet, Matthew J. Niederst, Elizabeth L. Lockerman, Rosa L. Frias, Justin F. Gainor, Arnaud Amzallag, Patricia Greninger, Dana Lee, Anuj Kalsy, Maria Gomez-Caraballo, Leila Elamine, Emily Howe, Wooyoung Hur, Eugene Lifshits, Hayley E. Robinson, Ryohei Katayama, Anthony C. Faber, Mark M. Awad, Sridhar Ramaswamy, Mari Mino-Kenudson, A. John Iafrate, Cyril H. Benes*, Jeffrey A. Engelman*

Patient-derived models of acquired resistance can identify effective drug combinations for cancer

Science. 2014, 346, 1480-1486


Li Tan, Jun Wang, Junko Tanizaki, Zhifeng Huang, Amir R. Aref, Maria Rusan, Su-Jie Zhu, Yiyun Zhang, Dalia Ercan, Rachel G. Liao, Marzia Capelletti, Wenjun Zhou, Wooyoung Hur, NamDoo Kim, Taebo Sim, Suzanne Gaudet, David A. Barbie, Jing-Ruey Joanna Yeh, Cai-Hong Yun, Peter S. Hammerman*, Moosa Mohammadi*, Pasi A. Jänne*, and Nathanael S. Gray*

Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.

Proc Natl Acad Sci. 2014, 111, E4869-E4877


Ting Xie, Sang Min Lim, Kenneth D Westover, Michel E Dodge, Dalia Ercan, Scott B Ficarro, Durga Udayakumar, Deepak Gurbani, Hyun Seop Tae, Steven M Riddle, Taebo Sim, Jarrod A Marto, Pasi A Janne*, Craig M Crews* & Nathanael S. Gray*

Pharmacological targeting of the pseudokinase Her3

Nat. Chem. Biol. 2014, 10, 1006-1012


Sandip Sengupta and Taebo Sim*

A Concise Synthesis of Mupirocin H Using a Cross-Metathesis-Based Strategy

Eur. J. Org. Chem. 2014, 5063-5070


Li Tan, Tyzoon Nomanbhoy, Deepak Gurbani, Matthew Patricelli, John Hunter, Jiefei Geng, Lina Herhaus, Jianming Zhang, Eduardo Pauls, Youngjin Ham, Hwan Geun Choi, Ting Xie, Xianming Deng, Sara J. Buhrlage, Taebo Sim, Philip Cohen, Gopal Sapkota, Kenneth D. Westover and Nathanael S. Gray*

Discovery of Type II Inhibitors of TGFβ-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2)

J. Med. Chem. 2014, 58, 183-196


Nicholas Kwiatkowski, Tinghu Zhang, Peter B. Rahl, Brian J. Abraham, Jessica Reddy, Scott B. Ficarro, Anahita Dastur, Arnaud Amzallag Sridhar Ramaswamy, Bethany Tesar, Catherine E. Jenkins, Nancy M. Hannett, Douglas McMillin, Takaomi Sanda, Taebo Sim, Nam Doo Kim, Thomas Look,  Constantine S. Mitsiades, Andrew P. Weng, Jennifer R. Brown, Cyril H. Benes, Jarrod A. Marto, Richard A. Young, Nathanael S. Gray

Targeting transcription regulation in cancer with a covalent CDK7 inhibitor

Nature 2014, 511, 616-620


Byung Sun Park, Mohammad M. Al-Saneab, Ahmed Z. Abdelazem, Hye Mi Park, Eun Joo Roh,  Hyun-Mee Park, Kyung Ho Yoo,  Taebo Sim,  Jin Sung Tae, So Ha Lee*

Structure-based optimization and biological evaluation of trisubstituted pyrazole as a core structure of potent ROS1 kinase inhibitors

Bioorganic & Medicinal Chemistry 2014, 22, 3871-3878


Hojong Yoon, Kyung Seon Cho, Taebo Sim*

Asymmetric synthesis of (+)-lentiginosine using a chiral aziridine based approach

Tetrahedron: Asymmetry 2014, 25, 497-502


Sang Min Lim, Kenneth D. Westover, Scott B. Ficarro, Rane A. Harrison, Hwan Geun Choi, Michael E. Pacold, Martin Carrasco, John Hunter, Nam Doo Kim, Ting Xie, Taebo Sim, Pasi A. Janne, Matthew Meyerson, Jarrod A. Marto, John R. Engen, and Nathanael S. Gray*

Therapeutic Targeting of Oncogenic K-Ras by a Covalent Catalytic Site Inhibitor

Angew. Chem. Int. Ed. 2014, 53, 199-204




Xianming Deng, Jonathan M. Elkins, Jinwei Zhang, Qingkai Yang, Tatiana Erazo, Nestor Gomez, Hwan Geun Choi, Jinhua Wang, Nicolas Dzamko, Jiing-Dwan Lee, Taebo Sim, Nam Doo Kim, Dario R. Alessi, Jose M. Lizcano, Stefan Knapp, Nathanael S. Gray*

Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones

Eur. J. Med. Chem. 2013, 70, 758-767


Eun Jeong Koh, Mohammed I. El-Gamal, Chang-Hyun Oh, So Ha Lee, Taebo Sim,Garam Kim, Hong Seok Choi, Jun Hee Hong, Sang-gi Lee, Kyung Ho Yoo*

New diarylamides and diarylureas possesing 8-amino(acetamido)quinoline scaffold: Synthesis, antiproliferative activities against melanoma cell lines, kinase inhibition, and in silico studies

Eur. J. Med. Chem. 2013, 70, 10-21


Hojong Yoon, Taebo Sim*

Stereoselective Synthesis of (+)-Polyoxamic Acid Starting with a Chiral aziridine

Synthesis 2013, 45, 3276-3280


Feiyang Liu, Xin Zhang, Ellen Weisberg, Sen Chen, Wooyoung Hur, Hong Wu, Zheng Zhao, Wenchao Wang, Mao Mao, Changmeng Cai, Nicholas I. Simon, Takaomi Sanda, Jinhua Wang, A. Thomas Look, James D. Griffin, Steven P. Balk*, Qingsong Liu*, and Nathanael S. Gray*

Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer

ACS Chem. Biol. 2013, 8, 1423-1428


Hwan Geun Choi, Dong-Sik Park, Won Koo Lee, Taebo Sim*

An efficient synthesis of 1,4-dideoxy-1,4-imino-D- and L-arabinitol and 1,4-dideoxy-1,4-imino-D- and L-xylitol from chiral aziridines

Tetrahedron Lett. 2013, 54, 5775-5777


Jung-eun Park, Chiman Song, Keehyun Choi, Taebo Sim, Bongjin Moon, Eun Joo Roh*

Synthesis and biological evaluation of novel 3,4-diaryl lactam derivatives as triple reuptake inhibitors

Bioorg. Med. Chem. Lett. 2013, 23, 5515-5518


Don-Kyu Kim, Gil-Tae Gang, Dongryeol Ryu, Minseob Koh, Yo-Na Kim, Su Sung Kim, Jinyoung Park, Yong-Hoon Kim, Taebo Sim, In-Kyu Lee, Cheol Soo Choi, Seung Bum Park, Chul-Ho Lee, Seung-Hoi Koo, Hueng-Sik Choi*

Inverse Agonist of Nuclear Receptor ERRγ Mediates Antidiabetic Effect Through Inhibition of Hepatic Gluconeogenesis

Diabetes. 2013, 62, 3903-3102


Qingsong Liu, Chunxiao Xu, Sivapriya Kirubakaran, Xin Zhang, Wooyoung Hur, Yan Liu, Nicholas P. Kwiatkowski, Jinhua Wang, Kenneth D. Westover, Peng Gao, Dalia Ercan, Mario Niepel, Carson C. Thoreen, Seong A. Kang, Matthew P. Patricelli, Yuchuan Wang, Tanya Tupper, Abigail Altabef, Hidemasa Kawamura, Kathryn D. Held, Danny M. Chou, Stephen J. Elledge, Pasi A. Janne, Kwok-Kin Wong, David M. Sabatini, and Nathanael S. Gray*

Characterization of Torin2, an ATP-Competitive Inhibitor of mTOR, ATM, and ATR

Cancer Res. 2013, 73, 2574-2586


Sabine Hellwig, Chandra V. Miduturu, Shigeru Kanda, Jianming Zhang, Panagis Filippakopoulos, Eidarus Salah, Xianming Deng, Hwan Geun Choi, Wenjun Zhou, Wooyoung Hur, Stefan Knapp, Nathanael S. Gray, Thomas E. Smithgall*

Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase

Chem. Biol. 2013, 19, 529-540


Jiyeon Lee, Heeyeon Kim, Taebo Sim, Rita Song*

A new quantum dot–platinum conjugate for self-assembled nanoconjugates by coordination bonding mediated recognition

Chem. Commun. 2013, 49, 6182-6184


Hwan Kim, Nam Doo Kim, Jiyoen Lee, Gyoonhee Han*, Taebo Sim*

Identification of methyl violet 2B as a novel blocker of focal adhesion kinase signaling pathway in cancer cells

Biochem. Biophys. Res. Commun. 2013, 70, 758-767


Baeck Kyoung Lee, Hwan Geun Choi, Eun Joo Roh, Won Koo Lee, Taebo Sim*

Stereoselective synthesis of (-)-8-epi-swainsonine starting with a chiral aziridine

Tetrahedron Lett. 2013, 54, 553-556



Young Jin Ham, Hana Yu, Nam Doo Kim, Jung-Mi Hah, Khalid B. Selim, Hwan Geun Choi, Taebo Sim*

Rhodium-catalyzed reductive cyclization of 1,6-enynes and stereoselective synthesis of the putative structure of lucentamycin A and its stereoisomers

Tetrahedron. 2012, 68, 1918-1925


Khalid B. Selim, Baeck Kyoung Lee, Taebo Sim*

Stereoselective total synthesis of the E-isomer of putative lucentamycin A

Tetrahedron Lett. 2012, 53, 5895-5898


Jin Wook Cha, Jin-Soo Park, Taebo Sim, Sang-Jip Nam, Hak Cheol Kwon*, Juan R. Del Valle, and William Fenical*

Structure Assignment of Lucentamycin E and Revision of the OlefinGeometries of the Marine-Derived Lucentamycins

J. Nat. Prod. 2012, 75, 1648-1651


Hwan Geun Choi, Jianming Zhang, Ellen Weisberg, James D. Griffin, Taebo Sim, Nathanael S. Gray*

Development of ‘DFG-out’ inhibitors of gatekeeper mutant kinases

Bioorg. Med. Chem. Lett. 2012, 22, 5297-5302


Qingsong Liu, Tao Ren, Tara Fresques, Wolfgang Oppliger, Brad J. Niles, Wooyoung Hur, David M. Sabatini, Michael N. Hall, Ted Powers, and Nathanael S. Gray*

Selective ATP-Competitive Inhibitors of TOR Suppress Rapamycin-Insensitive Function of TORC2 in Saccharomyces cerevisiae

ACS Chem. Biol. 2012, 7, 982-987


Myung-Ho Jung, Mohammed I. El-Gamal, Mohammed S. Abdel-Maksoud, Taebo Sim, Kyung Ho Yoo, Chang-Hyun Oh*

Design, synthesis, and antiproliferative activity of new 1H-pyrrolo[3,2-c]pyridine derivatives against melanoma cell lines. Part 2

Bioorg. Med. Chem. Lett. 2012, 22, 4362-4367


Mathew J. Garnett, Elena J. Edelman, Sonja J. Heidorn, Chris D. Greenman, Anahita Dastur, King Wai Lau,Patricia Greninger, I. Richard Thompson, Xi Luo, Jorge Soares, Qingsong Liu, Francesco Iorio, Didier Surdez, Li Chen2,Randy J. Milano, Graham R. Bignell, Ah T. Tam, Helen Davies, Jesse A. Stevenson, Syd Barthorpe, Stephen R. Lutz, Fiona Kogera, Karl Lawrence, Anne McLaren-Douglas, Xeni Mitropoulos, Tatiana Mironenko, Helen Thi, Laura Richardson, Wenjun Zhou, Frances Jewitt, Tinghu Zhang, Patrick O’Brien, Jessica L. Boisvert, Stacey Price, Wooyoung Hur,Wanjuan Yang, Xianming Deng, Adam Butler, Hwan Geun Choi, JaeWon Chang, Jose Baselga, Ivan Stamenkovic,Jeffrey A. Engelman, Sreenath V. Sharma, Olivier Delattre, Julio Saez-Rodriguez, Nathanael S. Gray, Jeffrey Settleman, P. Andrew Futreal, Daniel A. Haber, Michael R. Stratton, Sridhar Ramaswamy, Ultan McDermott & Cyril H. Benes

Systematic identification of genomic markers of drug sensitivity in cancer cells

Nature 2012, 483, 570-575


Qingsong Liu, Sivapriya Kirubakaran, Wooyoung Hur, Mario Niepel, Kenneth Westover, Carson C. Thoreen, Jinhua Wang, Jing Ni, Matthew P. Patricelli, Kurt Vogel, Steve Riddle, David L. Waller, Ryan Traynor, Takaomi Sanda, Zheng Zhao, Seong A. Kang, Jean Zhao, A. Thomas Look, Peter K. Sorger, David M. Sabatinii and Nathanael S. Gray*

Kinome-wide Selectivity Profiling of ATP-competitive Mammalian Target of Rapamycin (mTOR) Inhibitors and Characterization of Their Binding Kinetics

J. Biol. Chem. 2012, 398, 9742-9752


Do-Hee Kim, Taebo Sim*

Novel small molecule Raf kinase inhibitors for targeted cancer therapeutics

Arch. Pharm. Res. 2012, 35, 605-615


Hee Jin Kim, Hye Jung Cho, Hwan Kim, Mohammed I. El-Gamal, Chang-Hyun Oh, So Ha Lee, Taebo Sim, Jung-Mi Hah, Kyung Ho Yoo*

New diarylureas and diarylamides possessing acet(benz)amidophenyl scaffold: Design, synthesis, and antiproliferative activity against melanoma cell line

Bioorg. Med. Chem. Lett. 2012, 21, 3269-3273


Tinghu Zhang, Francisco Inesta-Vaquera, Mario Niepel, Jianming Zhang, Scott B. Ficarro, Thomas Machleidt, Ting Xie, Jarrod A. Marto, NamDoo Kim, Taebo Sim, John D. Laughlin, Hajeung Park, Philip V. LoGrasso, Matt Patricelli, Tyzoon K. Nomanbhoy, Peter K. Sorger, Dario R. Alessi, Nathanael S. Gray*

Discovery of Potent and Selective Covalent Inhibitors of JNK

Chem. Biol. 2012, 27, 140-154


Qingsong Liu, Seong A. Kang, Carson C. Thoreen, Wooyoung Hur, Jinhua Wang, Jae Won Chang, Andrew Markhard, Jianming Zhang, Taebo Sim, David M. Sabatini, Nathanael S. Gray*

Development of ATP-Competitive mTOR Inhibitors

Methods Mol. Biol. 2012, 821, 447-460



Qingsong Liu, Jinhua Wang, Seong A. Kang, Carson C. Thoreena, Wooyoung Hur, Hwan Geun Choi, David L. Waller, Taebo Sim, David M. Sabatini, Nathanael S. Gray*

Discovery and optimization of potent and selective benzonaphthyridinone analogs as small molecule mTOR inhibitors with improved mouse microsome stability

Bioorg. Med. Chem. Lett. 2011, 21, 4036-4040


Mohammed I. El-Gamal, Myung-Ho Jung, Woong San Lee, Taebo Sim, Kyung Ho Yoo, Chang-Hyun Oh*

Design, synthesis, and antiproliferative activity of new 1H-pyrrolo[3,2-c]pyridine derivatives against melanoma cell lines.

Eur. J. Med. Chem. 2011, 46, 3218-3226


Xianming Deng, Jinhua Wang, Jianming Zhang, Taebo Sim, Nam Doo Kim, Takaaki Sasaki, William Luther, Rani E. George, Pasi A. Jänne, and Nathanael S. Gray*

Discovery of 3,5-Diamino-1,2,4-triazole Ureas as Potent Anaplastic Lymphoma Kinase Inhibitors

ACS Med. Chem. Lett. 2011, 2, 378-384


Xianming Deng, Qingkai Yang, Nicholas Kwiatkowski, Taebo Sim, Ultan McDermott, Jeffrey E. Settleman, Jiing-Dwan Lee*, and Nathanael S. Gray*

Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1

ACS Med. Chem. Lett. 2011, 2, 195-200


Mi-hyun Kim, Minjung Kim, Hana Yu, Hwan Kim, Kyung Ho Yoo, Taebo Sim, Jung-Mi Hah*

Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells

Bioorg. Med. Chem. Lett. 2011, 19, 1915-1923


Qingsong Liu, Jinhua Wang, Seong A. Kang, Carson C. Thoreen, Wooyoung Hur, Tausif Ahmed, David M. Sabatini and Nathanael S. Gray*

Discovery of 9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one (Torin2) as a Potent, Selective, and Orally Available Mammalian Target of Rapamycin (mTOR) Inhibitor for Treatment of Cancer

J. Med. Chem. 2011, 54, 1473-1480


Wooyoung Hur, Nathanael S Gray*

Small molecule modulators of antioxidant response pathway

Curr. Opin. Chem. Biol. 2011, 15, 162-173




Do-Hee kim, Taebo Sim*

Chemical kinomics: a powerful strategy for target deconvolution

BMB Rep. 2010, 43, 711-719


Qingsong Liu, Jae Won Chang, Jinhua Wang, Seong A. Kang, Carson C. Thoreen, Andrew Markhard, Wooyoung Hur, Jianming Zhang, Taebo Sim, David M. Sabatini, and Nathanael S. Gray*

Discovery of 1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one as a Highly Potent, Selective Mammalian Target of Rapamycin (mTOR) Inhibitor for the Treatment of Cancer

J. Med. Chem. 2010, 53, 7146-7155


Wooyoung Hur, Zheng Sun, Tao Jiang, Daniel E. Mason, Eric C. Peters, Donna D. Zang, Hendrick Luesch*, Peter G. Schultz*, Nathanael S. Gray*

A Small-Molecule Inducer of the Antioxidant Response Element

Chem. Biol. 2010, 17, 537-547


Xianming Deng, Barun Okram, Qiang Ding, Jianming Zhang, Yongmun Choi, Francisco J. Adrián, Amy Wojciechowski, Guobao Zhang, Jianwei Che, Badry Bursulaya, Sandra W. Cowan-Jacob, Gabriele Rummel, Taebo Sim* and Nathanael S. Gray*

Expanding the Diversity of Allosteric Bcr-Abl Inhibitors

J. Med. Chem. 2010, 53, 6934-6946


Wenjun Zhou, Wooyoung Hur, Ultan McDermott, Amit Dutt, Wa Xian, Scott B. Ficarro, Jianming Zhang, Sreenath V. Sharma, Joan Brugge, Matthew Meyerson, Jeffrey Settleman, Nathanael S. Gray*

A Structure-Guided Approach to Creating Covalent FGFR Inhibitors

Chem. Biol. 2010, 17, 285-295


Hwan Geun Choi, Pingda Ren, Francisco Adrian, Fangxian Sun, Hyun Soo Lee, Xia Wang, Qiang Ding, Guobao Zhang, Yongping Xie, Jianming Zhang, Yi Liu, Tove Tuntland, Markus Warmuth, Paul W. Manley, Jürgen Mestan, Nathanael S. Gray* and Taebo Sim*

A Type-II Kinase Inhibitor Capable of Inhibiting the T315I “Gatekeeper” Mutant of Bcr-Abl

J. Med. Chem. 2010, 53, 5439-5448


Hana Yu, Yunkyung Jung, Hwan Kim, Junghun Lee, Chang-Hyun Oh, Kyung Ho Yoo, Taebo Sim, Jung-Mi Hah*

1,4-Dihydropyrazolo[4,3-d]imidazole phenyl derivatives: A novel type II Raf kinase inhibitors

Bioorg. Med. Chem. Lett. 2010, 20, 3805-3808


Nicholas Kwiatkowski, Nannette Jelluma, Panagis Filippakopoulos, Meera Soundararajan, Michael S Manak, Mijung Kwon, Hwan Geun Choi, Taebo Sim, Quinn L Deveraux, Sabine Rottmann, David Pellman, Jagesh V Shah, Geert J. P. L. Kops, Stefan Knapp & Nathanael S. Gray*

Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function

Nat. Chem. Biol. 2010, 6, 359-368


Ellen Weisberg, Hwan Geun Choi, Arghya Ray, Rosemary Barrett, Jianming Zhang, Taebo Sim, Wenjun Zhou, Markus Seeliger, Michael Cameron, Mohammed Azam, Jonathan A. Fletcher, Maria Debiec-Rychter, Mark Mayeda, Daisy Moreno, Andrew L. Kung,  Pasi Antero Janne, Roya Khosravi-Far, Junia V. Melo, Paul W. Manley, Sophia Adamia, Catherine Wu, Nathanael Gray and James D. Griffin*

Discovery of a small-molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRα, Kit, and Src kinases: novel type II inhibitor of gatekeeper mutants

Blood 2010, 115, 4206-4216


Junghun Lee, Hwan Kim, Hana Yu, Jae Yoon Chung, Chang-Hyun Oh, Kyung Ho Yoo, Taebo Sim, Jung-Mi Hah*

Discovery and initial SAR of pyrimidin-4-yl-1H-imidazole derivatives with antiproliferative activity against melanoma cell lines

Bioorg. Med. Chem. Lett. 2010, 20, 1573-1577


Jianming Zhang, Francisco J. Adrián, Wolfgang Jahnke, Sandra W. Cowan-Jacob, Allen G. Li, Roxana E. Iacob, Taebo Sim, John Powers6, Christine Dierks, Fangxian Sun, Gui-Rong Guo, Qiang Ding, Barun Okram, Yongmun Choi, Amy Wojciechowski, Xianming Deng, Guoxun Liu, Gabriele Fendrich, André Strauss, Navratna Vajpai, Stephan Grzesiek, Tove Tuntland, Yi Liu, Badry Bursulaya, Mohammad Azam, Paul W. Manley, John R. Engen, George Q. Daley, Markus Warmuth, Nathanael S. Gray*

Targeting Bcr–Abl by combining allosteric with ATP-binding-site inhibitors

Nature 2010, 463, 501-506