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Discovery of a potent and highly selective transforming growth factor β receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)

Muraoka, Terushige ; Ide, Mitsuaki ; Morikami, Kenji ; Irie, Machiko ; Nakamura, Mitsuaki ; Miura, Takaaki ; Kamikawa, Takayuki ; Nishihara, Masamichi ; Kashiwagi, Hirotaka

Bioorganic & Medicinal Chemistry, 15 September 2016, Vol.24(18), pp.4206-4217 [Peer Reviewed Journal]

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Synthesis and biological evaluation of novel 7-substituted 3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amines as potent Bruton’s tyrosine kinase (BTK) inhibitors

Xin, Minhang ; Zhao, Xinge ; Huang, Wei ; Jin, Qiu ; Wu, Gang ; Wang, Yazhou ; Tang, Feng ; Xiang, Hua

Bioorganic & Medicinal Chemistry, 01 October 2015, Vol.23(19), pp.6250-6257 [Peer Reviewed Journal]

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Discovery of thieno[3,2-c]pyridin-4-amines as novel Bruton’s tyrosine kinase (BTK) inhibitors

Zhao, Xinge ; Xin, Minhang ; Wang, Yazhou ; Huang, Wei ; Jin, Qiu ; Tang, Feng ; Wu, Gang ; Zhao, Yong ; Xiang, Hua

Bioorganic & Medicinal Chemistry, 01 September 2015, Vol.23(17), pp.6059-6068 [Peer Reviewed Journal]

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Syntheses of phenylpyrazolodiazepin-7-ones as conformationally rigid analogs of aminopyrazole amide scaffold and their antiproliferative effects on cancer cells

Kim, Hyangmi ; Kim, Minjung ; Lee, Junghun ; Yu, Hana ; Hah, Jung-Mi

Bioorganic & Medicinal Chemistry, 15 November 2011, Vol.19(22), pp.6760-6767 [Peer Reviewed Journal]

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

Kim, Mi-Hyun ; Kim, Minjung ; Yu, Hana ; Kim, Hwan ; Yoo, Kyung Ho ; Sim, Taebo ; Hah, Jung-Mi

Bioorganic & Medicinal Chemistry, 15 March 2011, Vol.19(6), pp.1915-1923 [Peer Reviewed Journal]

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Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases

Casuscelli, Francesco ; Ardini, Elena ; Avanzi, Nilla ; Casale, Elena ; Cervi, Giovanni ; D’anello, Matteo ; Donati, Daniele ; Faiardi, Daniela ; Ferguson, Ronald D ; Fogliatto, Gianpaolo ; Galvani, Arturo ; Marsiglio, Aurelio ; Mirizzi, Danilo G ; Montemartini, Marisa ; Orrenius, Christian ; Papeo, Gianluca ; Piutti, Claudia ; Salom, Barbara ; Felder, Eduard R

Bioorganic & Medicinal Chemistry, 01 December 2013, Vol.21(23), pp.7364-7380 [Peer Reviewed Journal]

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Identification of protein binding partners of ALK-5 kinase inhibitors

Ciayadi, Rudy ; Kelso, Geoffrey F ; Potdar, Mahesh K ; Harris, Simon J ; Walton, Kelly L ; Harrison, Craig A ; Hearn, Milton T.W

Bioorganic & Medicinal Chemistry, 01 November 2013, Vol.21(21), pp.6496-6500 [Peer Reviewed Journal]

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Identification of 4-(2-furanyl)pyrimidin-2-amines as Janus kinase 2 inhibitors

Wang, Yazhou ; Huang, Wei ; Xin, Minhang ; Chen, Pan ; Gui, Li ; Zhao, Xinge ; Tang, Feng ; Wang, Jia ; Liu, Fei

Bioorganic & Medicinal Chemistry, 01 January 2017, Vol.25(1), pp.75-83 [Peer Reviewed Journal]

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Structural Elucidation of the DFG-Asp in and DFG-Asp out States of TAM Kinases and Insight into the Selectivity of Their Inhibitors

Abdellah Messoussi ; Lucile Peyronnet ; Clémence Feneyrolles ; Gwénaël Chevé ; Khalid Bougrin ; Aziz Yasri

Molecules, 01 October 2014, Vol.19(10), pp.16223-16239 [Peer Reviewed Journal]

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A Role for Hydration in Interleukin‐2 Inducible T Cell Kinase (Itk) Selectivity

Knegtel, Ronald M. A. ; Robinson, Daniel D.

Molecular Informatics, December 2011, Vol.30(11‐12), pp.950-959 [Peer Reviewed Journal]

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11
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Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases

Nishiguchi, Gisele A ; Atallah, Gordana ; Bellamacina, Cornelia ; Burger, Matthew T ; Ding, Yu ; Feucht, Paul H ; Garcia, Pablo D ; Han, Wooseok ; Klivansky, Liana ; Lindvall, Mika

Bioorganic & Medicinal Chemistry Letters, 2011, Vol.21(21), pp.6366-6369 [Peer Reviewed Journal]

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Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors

Mccoull, William ; Hennessy, Edward J ; Blades, Kevin ; Chuaqui, Claudio ; Dowling, James E ; Ferguson, Andrew D ; Goldberg, Frederick W ; Howe, Nicholas ; Jones, Christopher R ; Kemmitt, Paul D ; Lamont, Gillian ; Varnes, Jeffrey G ; Ward, Richard A ; Yang, Bin

ACS medicinal chemistry letters, 08 December 2016, Vol.7(12), pp.1118-1123 [Peer Reviewed Journal]

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Design of selective PI3Kα inhibitors starting from a promiscuous pan kinase scaffold

Barlaam, Bernard ; Cosulich, Sabina ; Fitzek, Martina ; Green, Stephen ; Harris, Craig S ; Hudson, Kevin ; Lambert-van Der Brempt, Christine ; Ouvry, Gilles ; Page, Ken ; Ruston, Linette ; Ward, Lara ; Delouvrié, Bénédicte

Bioorganic & Medicinal Chemistry Letters, 01 July 2015, Vol.25(13), pp.2679-2685 [Peer Reviewed Journal]

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Synthesis and SAR of new pyrazolo[4,3- h]quinazoline-3-carboxamide derivatives as potent and selective MPS1 kinase inhibitors

Caldarelli, Marina ; Angiolini, Mauro ; Disingrini, Teresa ; Donati, Daniele ; Guanci, Marco ; Nuvoloni, Stefano ; Posteri, Helena ; Quartieri, Francesca ; Silvagni, Marco ; Colombo, Riccardo

Bioorganic & Medicinal Chemistry Letters, 2011, Vol.21(15), pp.4507-4511 [Peer Reviewed Journal]

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15
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Discovery of a novel aminopyrazine series as selective PI3Kα inhibitors

Barlaam, Bernard ; Cosulich, Sabina ; Fitzek, Martina ; Germain, Hervé ; Green, Stephen ; Hanson, Lyndsey L ; Harris, Craig S ; Hancox, Urs ; Hudson, Kevin ; Lambert-van Der Brempt, Christine ; Lamorlette, Maryannick ; Magnien, Françoise ; Ouvry, Gilles ; Page, Ken ; Ruston, Linette ; Ward, Lara ; Delouvrié, Bénédicte

Bioorganic & Medicinal Chemistry Letters, 01 July 2017, Vol.27(13), pp.3030-3035 [Peer Reviewed Journal]

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16
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Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology

Boga, Sobhana Babu ; Alhassan, Abdul-Basit ; Cooper, Alan B ; Doll, Ronald ; Shih, Neng-Yang ; Shipps, Gerald ; Deng, Yongqi ; Zhu, Hugh ; Nan, Yang ; Sun, Robert ; Zhu, Liang ; Desai, Jagdish ; Patel, Mehul ; Muppalla, Kiran ; Gao, Xiaolei ; Wang, James ; Yao, Xin ; Kelly, Joseph ; Gudipati, Subrahmanyam ; Paliwal, Sunil

Bioorganic & Medicinal Chemistry Letters, 15 June 2018, Vol.28(11), pp.2029-2034 [Peer Reviewed Journal]

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17
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Design and Synthesis of Potent and Selective PIM Kinase Inhibitors by Targeting Unique Structure of ATP-Binding Pocket

Nakano, Hirofumi ; Hasegawa, Tsukasa ; Kojima, Hirotatsu ; Okabe, Takayoshi ; Nagano, Tetsuo

ACS medicinal chemistry letters, 11 May 2017, Vol.8(5), pp.504-509 [Peer Reviewed Journal]

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18
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Synthesis and SAR of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as potent and selective CDK4/6 inhibitors

Zhao, Hui ; Hu, Xiaoxia ; Cao, Kai ; Zhang, Yue ; Zhao, Kuantao ; Tang, Chunlei ; Feng, Bainian

European Journal of Medicinal Chemistry, 05 September 2018, Vol.157, pp.935-945 [Peer Reviewed Journal]

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19
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Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors

Vijay Kumar, D ; Hoarau, Christophe ; Bursavich, Matthew ; Slattum, Paul ; Gerrish, David ; Yager, Kraig ; Saunders, Michael ; Shenderovich, Mark ; Roth, Bruce L ; Mckinnon, Rena ; Chan, Ashley ; Cimbora, Daniel M ; Bradford, Chad ; Reeves, Leslie ; Patton, Scott ; Papac, Damon I ; Williams, Brandi L ; Carlson, Robert O

Bioorganic & Medicinal Chemistry Letters, 01 July 2012, Vol.22(13), pp.4377-4385 [Peer Reviewed Journal]

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20
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Targeted kinase selectivity from kinase profiling data

Milletti, Francesca ; Hermann, Johannes C

ACS medicinal chemistry letters, 10 May 2012, Vol.3(5), pp.383-6 [Peer Reviewed Journal]

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21
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Discovery of 5-substituent-N-arylbenzamide derivatives as potent, selective and orally bioavailable LRRK2 inhibitors

Ding, Xiao ; Dai, Xuedong ; Long, Kai ; Peng, Cheng ; Andreotti, Daniele ; Bamborough, Paul ; Eatherton, Andrew J ; Edge, Colin ; Jandu, Karamjit S ; Nichols, Paula L ; Philps, Oliver J ; Stasi, Luigi Piero ; Wan, Zehong ; Xiang, Jia-Ning ; Dong, Kelly ; Dossang, Pamela ; Ho, Ming-Hsun ; Li, Yi ; Mensah, Lucy ; Guan, Xiaoming

Bioorganic & Medicinal Chemistry Letters, 01 September 2017, Vol.27(17), pp.4034-4038 [Peer Reviewed Journal]

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22
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Multi-step virtual screening to develop selective DYRK1A inhibitors

Koyama, Tomoko ; Yamaotsu, Noriyuki ; Nakagome, Izumi ; Ozawa, Shin-Ichiro ; Yoshida, Tomoki ; Hayakawa, Daichi ; Hirono, Shuichi

Journal of Molecular Graphics and Modelling, March 2017, Vol.72, pp.229-239 [Peer Reviewed Journal]

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23
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Discovery of orally active anticancer candidate CFI-400945 derived from biologically promising spirooxindoles: Success and challenges

Yu, Bin ; Yu, Zhiqiang ; Qi, Ping-Ping ; Yu, De-Quan ; Liu, Hong-Min

European Journal of Medicinal Chemistry, 05 May 2015, Vol.95, pp.35-40 [Peer Reviewed Journal]

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24
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Discovery of 3-morpholino-imidazole[1,5-a]pyrazine BTK inhibitors for rheumatoid arthritis

Boga, Sobhana Babu ; Alhassan, Abdul-Basit ; Liu, Jian ; Guiadeen, Deodial ; Krikorian, Arto ; Gao, Xiaolei ; Wang, James ; Yu, Younong ; Anand, Rajan ; Liu, Shilan ; Yang, Chundao ; Wu, Hao ; Cai, Jiaqiang ; Zhu, Hugh ; Desai, Jagdish ; Maloney, Kevin ; Gao, Ying-Duo ; Fischmann, Thierry O ; Presland, Jeremy ; Mansueto, My

Bioorganic & Medicinal Chemistry Letters, 15 August 2017, Vol.27(16), pp.3939-3943 [Peer Reviewed Journal]

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25
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Discovery and antiplatelet activity of a selective PI3Kβ inhibitor (MIPS-9922)

Zheng, Zhaohua ; Pinson, Jo-Anne ; Mountford, Simon J ; Orive, Stephanie ; Schoenwaelder, Simone M ; Shackleford, David ; Powell, Andrew ; Nelson, Erin M ; Hamilton, Justin R ; Jackson, Shaun P ; Jennings, Ian G ; Thompson, Philip E

European Journal of Medicinal Chemistry, 21 October 2016, Vol.122, pp.339-351 [Peer Reviewed Journal]

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26
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GSK114: A selective inhibitor for elucidating the biological role of TNNI3K

Lawhorn, Brian G ; Philp, Joanne ; Graves, Alan P ; Shewchuk, Lisa ; Holt, Dennis A ; Gatto, Gregory J ; Kallander, Lara S

Bioorganic & Medicinal Chemistry Letters, 15 July 2016, Vol.26(14), pp.3355-3358 [Peer Reviewed Journal]

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27
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Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy

Alder, Catherine M ; Ambler, Martin ; Campbell, Amanda J ; Champigny, Aurelie C ; Deakin, Angela M ; Harling, John D ; Harris, Carol A ; Longstaff, Tim ; Lynn, Sean ; Maxwell, Aoife C ; Mooney, Chris J ; Scullion, Callum ; Singh, Onkar M P ; Smith, Ian E D ; Somers, Donald O ; Tame, Christopher J ; Wayne, Gareth ; Wilson, Caroline ; Woolven, James M

ACS medicinal chemistry letters, 10 October 2013, Vol.4(10), pp.948-52 [Peer Reviewed Journal]

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28
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Design of a Novel and Selective IRAK4 Inhibitor Using Topological Water Network Analysis and Molecular Modeling Approaches

Lee, Myeong Hwi ; Balupuri, Anand ; Jung, Ye-Rim ; Choi, Sungwook ; Lee, Areum ; Cho, Young Sik ; Kang, Nam Sook

Molecules (Basel, Switzerland), 29 November 2018, Vol.23(12) [Peer Reviewed Journal]

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29
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Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): Kinase profiling guided optimization of a 1,2,3-benzotriazole lead

Palmer, Wylie S ; Alam, Muzaffar ; Arzeno, Humberto B ; Chang, Kung-Ching ; Dunn, James P ; Goldstein, David M ; Gong, Leyi ; Goyal, Bindu ; Hermann, Johannes C ; Hogg, J. Heather ; Hsieh, Gary ; Jahangir, Alam ; Janson, Cheryl ; Jin, Sue ; Ursula Kammlott, R ; Kuglstatter, Andreas ; Lukacs, Christine ; Michoud, Christophe ; Niu, Linghao ; Reuter, Deborah C

Bioorganic & Medicinal Chemistry Letters, 01 March 2013, Vol.23(5), pp.1486-1492 [Peer Reviewed Journal]

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30
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Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors

Kawahata, Wataru ; Asami, Tokiko ; Irie, Takayuki ; Sawa, Masaaki

Bioorganic & Medicinal Chemistry Letters, 15 January 2018, Vol.28(2), pp.145-151 [Peer Reviewed Journal]

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31
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Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome

Lynch, Stephen M ; Devicente, Javier ; Hermann, Johannes C ; Jaime-Figueroa, Saul ; Jin, Sue ; Kuglstatter, Andreas ; Li, Hongju ; Lovey, Allen ; Menke, John ; Niu, Linghao ; Patel, Vaishali ; Roy, Douglas ; Soth, Michael ; Steiner, Sandra ; Tivitmahaisoon, Parcharee ; Vu, Minh Diem ; Yee, Calvin

Bioorganic & Medicinal Chemistry Letters, 01 May 2013, Vol.23(9), pp.2793-2800 [Peer Reviewed Journal]

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32
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Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles

Kothiwale, Sandeepkumar ; Borza, Corina ; Pozzi, Ambra ; Meiler, Jens

Molecules (Basel, Switzerland), 19 September 2017, Vol.22(9) [Peer Reviewed Journal]

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33
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Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit

Nakano, Hirofumi ; Hasegawa, Tsukasa ; Imamura, Riyo ; Saito, Nae ; Kojima, Hirotatsu ; Okabe, Takayoshi ; Nagano, Tetsuo

Bioorganic & Medicinal Chemistry Letters, 01 May 2016, Vol.26(9), pp.2370-2374 [Peer Reviewed Journal]

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34
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Pyrazolopyridine inhibitors of B-RafV600E. Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors

Wenglowsky, Steve ; Moreno, David ; Laird, Ellen R ; Gloor, Susan L ; Ren, Li ; Risom, Tyler ; Rudolph, Joachim ; Sturgis, Hillary L ; Voegtli, Walter C

Bioorganic & Medicinal Chemistry Letters, 01 October 2012, Vol.22(19), pp.6237-6241 [Peer Reviewed Journal]

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35
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Discovery of selective RIO2 kinase small molecule ligand

Varin, Thibault ; Godfrey, Alexander G ; Masquelin, Thierry ; Nicolaou, Christos A ; Evans, David A ; Vieth, Michal

BBA - Proteins and Proteomics, October 2015, Vol.1854(10), pp.1630-1636 [Peer Reviewed Journal]

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36
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Discovery of 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amines as potent, selective and orally bioavailable LRRK2 inhibitors

Ding, Xiao ; Stasi, Luigi Piero ; Ho, Ming-Hsun ; Zhao, Baowei ; Wang, Hailong ; Long, Kai ; Xu, Qiongfeng ; Sang, Yingxia ; Sun, Changhui ; Hu, Huan ; Yu, Haihua ; Wan, Zehong ; Wang, Lizhen ; Edge, Colin ; Liu, Qian ; Li, Yi ; Dong, Kelly ; Guan, Xiaoming ; Tattersall, F. David ; Reith, Alastair D

Bioorganic & Medicinal Chemistry Letters, 15 May 2018, Vol.28(9), pp.1615-1620 [Peer Reviewed Journal]

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