Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton’s Tyrosine Kinase Inhibitor in Early Clinical Development
Crawford, James J, Johnson, Adam R, Misner, Dinah L, Belmont, Lisa D, Castanedo, Georgette, Choy, Regina, Coraggio, Melis, Dong, Liming, Eigenbrot, Charles, Erickson, Rebecca, Ghilardi, Nico, Hau, Jonathan, Katewa, Arna, Kohli, Pawan Bir, Lee, Wendy, Lubach, Joseph W, McKenzie, Brent S, Ortwine, Daniel F, Schutt, Leah, Tay, Suzanne, Wei, BinQing, Reif, Karin, Liu, Lichuan, Wong, Harvey, Young, Wendy B
Published in Journal of medicinal chemistry (22.03.2018)
Published in Journal of medicinal chemistry (22.03.2018)
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Cryo-EM reveals an unprecedented binding site for NaV1.7 inhibitors enabling rational design of potent hybrid inhibitors
Kschonsak, Marc, Jao, Christine C, Arthur, Christopher P, Rohou, Alexis L, Bergeron, Philippe, Ortwine, Daniel F, McKerrall, Steven J, Hackos, David H, Deng, Lunbin, Chen, Jun, Li, Tianbo, Dragovich, Peter S, Volgraf, Matthew, Wright, Matthew R, Payandeh, Jian, Ciferri, Claudio, Tellis, John C
Published in eLife (28.03.2023)
Published in eLife (28.03.2023)
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Discovery and Characterization of a Novel Inhibitor of Matrix Metalloprotease-13 That Reduces Cartilage Damage in Vivo without Joint Fibroplasia Side Effects
Johnson, Adam R., Pavlovsky, Alexander G., Ortwine, Daniel F., Prior, Faith, Man, Chiu-Fai, Bornemeier, Dirk A., Banotai, Craig A., Mueller, W. Thomas, McConnell, Patrick, Yan, Chunhong, Baragi, Vijay, Lesch, Charles, Roark, W. Howard, Wilson, Michael, Datta, Kaushik, Guzman, Roberto, Han, Hyo-Kyung, Dyer, Richard D.
Published in The Journal of biological chemistry (21.09.2007)
Published in The Journal of biological chemistry (21.09.2007)
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Potent and selective Bruton’s tyrosine kinase inhibitors: Discovery of GDC-0834
Young, Wendy B., Barbosa, James, Blomgren, Peter, Bremer, Meire C., Crawford, James J., Dambach, Donna, Gallion, Steve, Hymowitz, Sarah G., Kropf, Jeffrey E., Lee, Seung H., Liu, Lichuan, Lubach, Joseph W., Macaluso, Jen, Maciejewski, Pat, Maurer, Brigitte, Mitchell, Scott A., Ortwine, Daniel F., Di Paolo, Julie, Reif, Karin, Scheerens, Heleen, Schmitt, Aaron, Sowell, C. Gregory, Wang, Xiaojing, Wong, Harvey, Xiong, Jin-Ming, Xu, Jianjun, Zhao, Zhongdong, Currie, Kevin S.
Published in Bioorganic & medicinal chemistry letters (15.03.2015)
Published in Bioorganic & medicinal chemistry letters (15.03.2015)
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Lead optimization of a pyrazolo[1,5-a]pyrimidin-7(4H)-one scaffold to identify potent, selective and orally bioavailable KDM5 inhibitors suitable for in vivo biological studies
Liang, Jun, Zhang, Birong, Labadie, Sharada, Ortwine, Daniel F., Vinogradova, Maia, Kiefer, James R., Gehling, Victor S., Harmange, Jean-Christophe, Cummings, Richard, Lai, Tommy, Liao, Jiangpeng, Zheng, Xiaoping, Liu, Yichin, Gustafson, Amy, Van der Porten, Erica, Mao, Weifeng, Liederer, Bianca M., Deshmukh, Gauri, Classon, Marie, Trojer, Patrick, Dragovich, Peter S., Murray, Lesley
Published in Bioorganic & medicinal chemistry letters (15.08.2016)
Published in Bioorganic & medicinal chemistry letters (15.08.2016)
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4-Phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione Inhibitors of the Checkpoint Kinase Wee1. Structure−Activity Relationships for Chromophore Modification and Phenyl Ring Substitution
Palmer, Brian D, Thompson, Andrew M, Booth, R. John, Dobrusin, Ellen M, Kraker, Alan J, Lee, Ho H, Lunney, Elizabeth A, Mitchell, Lorna H, Ortwine, Daniel F, Smaill, Jeff B, Swan, Leesa M, Denny, William A
Published in Journal of medicinal chemistry (10.08.2006)
Published in Journal of medicinal chemistry (10.08.2006)
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Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability
Lauffer, Benjamin E.L., Mintzer, Robert, Fong, Rina, Mukund, Susmith, Tam, Christine, Zilberleyb, Inna, Flicke, Birgit, Ritscher, Allegra, Fedorowicz, Grazyna, Vallero, Roxanne, Ortwine, Daniel F., Gunzner, Janet, Modrusan, Zora, Neumann, Lars, Koth, Christopher M., Lupardus, Patrick J., Kaminker, Joshua S., Heise, Christopher E., Steiner, Pascal
Published in The Journal of biological chemistry (13.09.2013)
Published in The Journal of biological chemistry (13.09.2013)
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GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer
Liang, Jun, Zbieg, Jason R., Blake, Robert A., Chang, Jae H., Daly, Stephen, DiPasquale, Antonio G., Friedman, Lori S., Gelzleichter, Thomas, Gill, Matthew, Giltnane, Jennifer M., Goodacre, Simon, Guan, Jane, Hartman, Steven J., Ingalla, Ellen Rei, Kategaya, Lorn, Kiefer, James R., Kleinheinz, Tracy, Labadie, Sharada S., Lai, Tommy, Li, Jun, Liao, Jiangpeng, Liu, Zhiguo, Mody, Vidhi, McLean, Neville, Metcalfe, Ciara, Nannini, Michelle A., Oeh, Jason, O’Rourke, Martin G., Ortwine, Daniel F., Ran, Yingqing, Ray, Nicholas C., Roussel, Fabien, Sambrone, Amy, Sampath, Deepak, Schutt, Leah K., Vinogradova, Maia, Wai, John, Wang, Tao, Wertz, Ingrid E., White, Jonathan R., Yeap, Siew Kuen, Young, Amy, Zhang, Birong, Zheng, Xiaoping, Zhou, Wei, Zhong, Yu, Wang, Xiaojing
Published in Journal of medicinal chemistry (26.08.2021)
Published in Journal of medicinal chemistry (26.08.2021)
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Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist
Ahuja, Shivani, Mukund, Susmith, Deng, Lunbin, Khakh, Kuldip, Chang, Elaine, Ho, Hoangdung, Shriver, Stephanie, Young, Clint, Lin, Sophia, Johnson, J. P., Wu, Ping, Li, Jun, Coons, Mary, Tam, Christine, Brillantes, Bobby, Sampang, Honorio, Mortara, Kyle, Bowman, Krista K., Clark, Kevin R., Estevez, Alberto, Xie, Zhiwei, Verschoof, Henry, Grimwood, Michael, Dehnhardt, Christoph, Andrez, Jean–Christophe, Focken, Thilo, Sutherlin, Daniel P., Safina, Brian S., Starovasnik, Melissa A., Ortwine, Daniel F., Franke, Yvonne, Cohen, Charles J., Hackos, David H., Koth, Christopher M., Payandeh, Jian
Published in Science (American Association for the Advancement of Science) (18.12.2015)
Published in Science (American Association for the Advancement of Science) (18.12.2015)
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Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations
Johnson, Adam R, Kohli, Pawan Bir, Katewa, Arna, Gogol, Emily, Belmont, Lisa D, Choy, Regina, Penuel, Elicia, Burton, Luciana, Eigenbrot, Charles, Yu, Christine, Ortwine, Daniel F, Bowman, Krista, Franke, Yvonne, Tam, Christine, Estevez, Alberto, Mortara, Kyle, Wu, Jiansheng, Li, Hong, Lin, May, Bergeron, Philippe, Crawford, James J, Young, Wendy B
Published in ACS chemical biology (21.10.2016)
Published in ACS chemical biology (21.10.2016)
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Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin‑2 Inducible T‑Cell Kinase (ITK) Inhibitors
Heifetz, Alexander, Trani, Giancarlo, Aldeghi, Matteo, MacKinnon, Colin H, McEwan, Paul A, Brookfield, Frederick A, Chudyk, Ewa I, Bodkin, Mike, Pei, Zhonghua, Burch, Jason D, Ortwine, Daniel F
Published in Journal of medicinal chemistry (12.05.2016)
Published in Journal of medicinal chemistry (12.05.2016)
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Water molecules in protein–ligand interfaces. Evaluation of software tools and SAR comparison
Nittinger, Eva, Gibbons, Paul, Eigenbrot, Charles, Davies, Doug R., Maurer, Brigitte, Yu, Christine L., Kiefer, James R., Kuglstatter, Andreas, Murray, Jeremy, Ortwine, Daniel F., Tang, Yong, Tsui, Vickie
Published in Journal of computer-aided molecular design (01.03.2019)
Published in Journal of computer-aided molecular design (01.03.2019)
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From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors
Liang, Jun, Labadie, Sharada, Zhang, Birong, Ortwine, Daniel F., Patel, Snahel, Vinogradova, Maia, Kiefer, James R., Mauer, Till, Gehling, Victor S., Harmange, Jean-Christophe, Cummings, Richard, Lai, Tommy, Liao, Jiangpeng, Zheng, Xiaoping, Liu, Yichin, Gustafson, Amy, Van der Porten, Erica, Mao, Weifeng, Liederer, Bianca M., Deshmukh, Gauri, An, Le, Ran, Yingqing, Classon, Marie, Trojer, Patrick, Dragovich, Peter S., Murray, Lesley
Published in Bioorganic & medicinal chemistry letters (01.07.2017)
Published in Bioorganic & medicinal chemistry letters (01.07.2017)
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Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
Rustenburg, Ariën S., Dancer, Justin, Lin, Baiwei, Feng, Jianwen A., Ortwine, Daniel F., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.11.2016)
Published in Journal of computer-aided molecular design (01.11.2016)
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Mechanism-specific assay design facilitates the discovery of Nav1.7-selective inhibitors
Chernov-Rogan, Tania, Li, Tianbo, Lu, Gang, Verschoof, Henry, Khakh, Kuldip, Jones, Steven W., Beresini, Maureen H., Liu, Chang, Ortwine, Daniel F., McKerrall, Steven J., Hackos, David H., Sutherlin, Daniel, Cohen, Charles J., Chen, Jun
Published in Proceedings of the National Academy of Sciences - PNAS (23.01.2018)
Published in Proceedings of the National Academy of Sciences - PNAS (23.01.2018)
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Structure- and Ligand-Based Discovery of Chromane Arylsulfonamide Nav1.7 Inhibitors for the Treatment of Chronic Pain
McKerrall, Steven J, Nguyen, Teresa, Lai, Kwong Wah, Bergeron, Philippe, Deng, Lunbin, DiPasquale, Antonio, Chang, Jae H, Chen, Jun, Chernov-Rogan, Tania, Hackos, David H, Maher, Jonathan, Ortwine, Daniel F, Pang, Jodie, Payandeh, Jian, Proctor, William R, Shields, Shannon D, Vogt, Jennifer, Ji, Pengfei, Liu, Wenfeng, Ballini, Elisa, Schumann, Lilia, Tarozzo, Glauco, Bankar, Girish, Chowdhury, Sultan, Hasan, Abid, Johnson, J. P, Khakh, Kuldip, Lin, Sophia, Cohen, Charles J, Dehnhardt, Christoph M, Safina, Brian S, Sutherlin, Daniel P
Published in Journal of medicinal chemistry (25.04.2019)
Published in Journal of medicinal chemistry (25.04.2019)
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Identification of Selective Acyl Sulfonamide–Cycloalkylether Inhibitors of the Voltage-Gated Sodium Channel (NaV) 1.7 with Potent Analgesic Activity
Sun, Shaoyi, Jia, Qi, Zenova, Alla Y, Wilson, Michael S, Chowdhury, Sultan, Focken, Thilo, Li, Jun, Decker, Shannon, Grimwood, Michael E, Andrez, Jean-Christophe, Hemeon, Ivan, Sheng, Tao, Chen, Chien-An, White, Andy, Hackos, David H, Deng, Lunbin, Bankar, Girish, Khakh, Kuldip, Chang, Elaine, Kwan, Rainbow, Lin, Sophia, Nelkenbrecher, Karen, Sellers, Benjamin D, DiPasquale, Antonio G, Chang, Jae, Pang, Jodie, Sojo, Luis, Lindgren, Andrea, Waldbrook, Matthew, Xie, Zhiwei, Young, Clint, Johnson, James P, Robinette, C. Lee, Cohen, Charles J, Safina, Brian S, Sutherlin, Daniel P, Ortwine, Daniel F, Dehnhardt, Christoph M
Published in Journal of medicinal chemistry (24.01.2019)
Published in Journal of medicinal chemistry (24.01.2019)
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Structure−Activity Relationships and Pharmacokinetic Analysis for a Series of Potent, Systemically Available Biphenylsulfonamide Matrix Metalloproteinase Inhibitors
O'Brien, Patrick M, Ortwine, Daniel F, Pavlovsky, Alexander G, Picard, Joseph A, Sliskovic, Drago R, Roth, Bruce D, Dyer, Richard D, Johnson, Linda L, Man, Chiu Fai, Hallak, Hussein
Published in Journal of medicinal chemistry (27.01.2000)
Published in Journal of medicinal chemistry (27.01.2000)
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