Discovery of Potent Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 Using a Novel Growth-Based Protocol of in Silico Screening and Optimization in CONTOUR
Liu, Zhijie, Singh, Suresh B, Zheng, Yajun, Lindblom, Peter, Tice, Colin, Dong, Chengguo, Zhuang, Linghang, Zhao, Yi, Kruk, Barbara A, Lala, Deepak, Claremon, David A, McGeehan, Gerard M, Gregg, Richard D, Cain, Robert
Published in Journal of chemical information and modeling (26.08.2019)
Published in Journal of chemical information and modeling (26.08.2019)
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Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) β Agonist
Zheng, Yajun, Zhuang, Linghang, Fan, Kristi Yi, Tice, Colin M, Zhao, Wei, Dong, Chengguo, Lotesta, Stephen D, Leftheris, Katerina, Lindblom, Peter R, Liu, Zhijie, Shimada, Jun, Noto, Paul B, Meng, Shi, Hardy, Andrew, Howard, Lamont, Krosky, Paula, Guo, Joan, Lipinski, Kerri, Kandpal, Geeta, Bukhtiyarov, Yuri, Zhao, Yi, Lala, Deepak, Van Orden, Rebecca, Zhou, Jing, Chen, Guozhou, Wu, Zhongren, McKeever, Brian M, McGeehan, Gerard M, Gregg, Richard E, Claremon, David A, Singh, Suresh B
Published in Journal of medicinal chemistry (14.04.2016)
Published in Journal of medicinal chemistry (14.04.2016)
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Pharmacological characterization of the selective 11β-hydroxysteroid dehydrogenase 1 inhibitor, BI 135585, a clinical candidate for the treatment of type 2 diabetes
Hamilton, Bradford S., Himmelsbach, Frank, Nar, Herbert, Schuler-Metz, Annette, Krosky, Paula, Guo, Joan, Guo, Rong, Meng, Shi, Zhao, Yi, Lala, Deepak S., Zhuang, Linghang, Claremon, David A., McGeehan, Gerard M.
Published in European journal of pharmacology (05.01.2015)
Published in European journal of pharmacology (05.01.2015)
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Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11β hydroxysteroid dehydrogenase type 1 inhibitor
Zhuang, Linghang, Tice, Colin M., Xu, Zhenrong, Zhao, Wei, Cacatian, Salvacion, Ye, Yuan-Jie, Singh, Suresh B., Lindblom, Peter, McKeever, Brian M., Krosky, Paula M., Zhao, Yi, Lala, Deepak, Kruk, Barbara A., Meng, Shi, Howard, Lamont, Johnson, Judith A., Bukhtiyarov, Yuri, Panemangalore, Reshma, Guo, Joan, Guo, Rong, Himmelsbach, Frank, Hamilton, Bradford, Schuler-Metz, Annette, Schauerte, Heike, Gregg, Richard, McGeehan, Gerard M., Leftheris, Katerina, Claremon, David A.
Published in Bioorganic & medicinal chemistry (15.07.2017)
Published in Bioorganic & medicinal chemistry (15.07.2017)
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Influence of sub-chronic selective 11β-hydroxysteroid dehydrogenase 1 inhibition on the hypothalamic-pituitary-adrenal axis in female cynomolgus monkeys
Hamilton, Bradford S., Schoelch, Corinna, Schuler-Metz, Annette, Krosky, Paula, Lala, Deepak S., Claremon, David A., McGeehan, Gerard M.
Published in European journal of pharmacology (15.10.2016)
Published in European journal of pharmacology (15.10.2016)
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Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Tice, Colin M., Noto, Paul B., Fan, Kristi Yi, Zhao, Wei, Lotesta, Stephen D., Dong, Chengguo, Marcus, Andrew P., Zheng, Ya-Jun, Chen, Guozhou, Wu, Zhongren, Van Orden, Rebecca, Zhou, Jing, Bukhtiyarov, Yuri, Zhao, Yi, Lipinski, Kerri, Howard, Lamont, Guo, Joan, Kandpal, Geeta, Meng, Shi, Hardy, Andrew, Krosky, Paula, Gregg, Richard E., Leftheris, Katerina, McKeever, Brian M., Singh, Suresh B., Lala, Deepak, McGeehan, Gerard M., Zhuang, Linghang, Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (15.10.2016)
Published in Bioorganic & medicinal chemistry letters (15.10.2016)
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Structure-Based Design and Synthesis of 1,3-Oxazinan-2-one Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1
Xu, Zhenrong, Tice, Colin M, Zhao, Wei, Cacatian, Salvacion, Ye, Yuan-Jie, Singh, Suresh B, Lindblom, Peter, McKeever, Brian M, Krosky, Paula M, Kruk, Barbara A, Berbaum, Jennifer, Harrison, Richard K, Johnson, Judith A, Bukhtiyarov, Yuri, Panemangalore, Reshma, Scott, Boyd B, Zhao, Yi, Bruno, Joseph G, Togias, Jennifer, Guo, Joan, Guo, Rong, Carroll, Patrick J, McGeehan, Gerard M, Zhuang, Linghang, He, Wei, Claremon, David A
Published in Journal of medicinal chemistry (08.09.2011)
Published in Journal of medicinal chemistry (08.09.2011)
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Structure-Based Design Technology Contour and Its Application to the Design of Renin Inhibitors
Ishchenko, Alexey, Liu, Zhijie, Lindblom, Peter, Wu, Guosheng, Jim, Kam-Chuen, Gregg, Richard D, Claremon, David A, Singh, Suresh B
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
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An electronic environment and contact direction sensitive scoring function for predicting affinities of protein–ligand complexes in Contour
Lindblom, Peter R., Wu, Guosheng, Liu, Zhijie, Jim, Kam-Chuen, Baldwin, John J., Gregg, Richard E., Claremon, David A., Singh, Suresh B.
Published in Journal of molecular graphics & modelling (01.09.2014)
Published in Journal of molecular graphics & modelling (01.09.2014)
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Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility
Jia, Lanqi, Simpson, Robert D, Yuan, Jing, Xu, Zhenrong, Zhao, Wei, Cacatian, Salvacion, Tice, Colin M, Guo, Joan, Ishchenko, Alexey, Singh, Suresh B, Wu, Zhongren, McKeever, Brian M, Bukhtiyarov, Yuri, Johnson, Judith A, Doe, Christopher P, Harrison, Richard K, McGeehan, Gerard M, Dillard, Lawrence W, Baldwin, John J, Claremon, David A
Published in ACS medicinal chemistry letters (13.10.2011)
Published in ACS medicinal chemistry letters (13.10.2011)
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Identification and Characterization of 4-Methylbenzyl 4-[(Pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate, an Orally Bioavailable, Brain Penetrant NR2B Selective N-Methyl-d-Aspartate Receptor Antagonist
Liverton, Nigel J, Bednar, Rodney A, Bednar, Bohumil, Butcher, John W, Claiborne, Christopher F, Claremon, David A, Cunningham, Michael, DiLella, Anthony G, Gaul, Stanley L, Libby, Brian E, Lyle, Elizabeth A, Lynch, Joseph J, McCauley, John A, Mosser, Scott D, Nguyen, Kevin T, Stump, Gary L, Sun, Hong, Wang, Hao, Yergey, James, Koblan, Kenneth S
Published in Journal of medicinal chemistry (22.02.2007)
Published in Journal of medicinal chemistry (22.02.2007)
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Spirocyclic ureas: Orally bioavailable 11β-HSD1 inhibitors identified by computer-aided drug design
Tice, Colin M., Zhao, Wei, Xu, Zhenrong, Cacatian, Salvacion T., Simpson, Robert D., Ye, Yuan-Jie, Singh, Suresh B., McKeever, Brian M., Lindblom, Peter, Guo, Joan, Krosky, Paula M., Kruk, Barbara A., Berbaum, Jennifer, Harrison, Richard K., Johnson, Judith J., Bukhtiyarov, Yuri, Panemangalore, Reshma, Scott, Boyd B., Zhao, Yi, Bruno, Joseph G., Zhuang, Linghang, McGeehan, Gerard M., He, Wei, Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (01.02.2010)
Published in Bioorganic & medicinal chemistry letters (01.02.2010)
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Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket
Yuan, Jing, Simpson, Robert D., Zhao, Wei, Tice, Colin M., Xu, Zhenrong, Cacatian, Salvacion, Jia, Lanqi, Flaherty, Patrick T., Guo, Joan, Ishchenko, Alexey, Wu, Zhongren, McKeever, Brian M., Scott, Boyd B., Bukhtiyarov, Yuri, Berbaum, Jennifer, Panemangalore, Reshma, Bentley, Ross, Doe, Christopher P., Harrison, Richard K., McGeehan, Gerard M., Singh, Suresh B., Dillard, Lawrence W., Baldwin, John J., Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (15.08.2011)
Published in Bioorganic & medicinal chemistry letters (15.08.2011)
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Cyclic benzamidines as orally efficacious NR2B-selective NMDA receptor antagonists
Nguyen, Kevin T., Claiborne, Christopher F., McCauley, John A., Libby, Brian E., Claremon, David A., Bednar, Rodney A., Mosser, Scott D., Gaul, Stanley L., Connolly, Thomas M., Condra, Cindra L., Bednar, Bohumil, Stump, Gary L., Lynch, Joseph J., Koblan, Kenneth S., Liverton, Nigel J.
Published in Bioorganic & medicinal chemistry letters (15.07.2007)
Published in Bioorganic & medicinal chemistry letters (15.07.2007)
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Discovery and optimization of adamantyl carbamate inhibitors of 11β-HSD1
Tice, Colin M., Zhao, Wei, Krosky, Paula M., Kruk, Barbara A., Berbaum, Jennifer, Johnson, Judith A., Bukhtiyarov, Yuri, Panemangalore, Reshma, Scott, Boyd B., Zhao, Yi, Bruno, Joseph G., Howard, Lamont, Togias, Jennifer, Ye, Yuan-Jie, Singh, Suresh B., McKeever, Brian M., Lindblom, Peter R., Guo, Joan, Guo, Rong, Nar, Herbert, Schuler-Metz, Annette, Gregg, Richard E., Leftheris, Katerina, Harrison, Richard K., McGeehan, Gerard M., Zhuang, Linghang, Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (15.11.2010)
Published in Bioorganic & medicinal chemistry letters (15.11.2010)
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Design and optimization of renin inhibitors: Orally bioavailable alkyl amines
Tice, Colin M., Xu, Zhenrong, Yuan, Jing, Simpson, Robert D., Cacatian, Salvacion T., Flaherty, Patrick T., Zhao, Wei, Guo, Joan, Ishchenko, Alexey, Singh, Suresh B., Wu, Zhongren, Scott, Boyd B., Bukhtiyarov, Yuri, Berbaum, Jennifer, Mason, Jennifer, Panemangalore, Reshma, Cappiello, Maria Grazia, Müller, Dominik, Harrison, Richard K., McGeehan, Gerard M., Dillard, Lawrence W., Baldwin, John J., Claremon, David A.
Published in Bioorganic & medicinal chemistry (01.07.2009)
Published in Bioorganic & medicinal chemistry (01.07.2009)
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Synthesis and evaluation of novel tricyclic benzo[4.5]cyclohepta[1.2]pyridine derivatives as NMDA/NR2B antagonists
McIntyre, Charles J., McCauley, John A., Bednar, Bohumil, Bednar, Rodney A., Butcher, John W., Claremon, David A., Cunningham, Michael E., Freidinger, Roger M., Gaul, Stanley L., Homnick, Carl F., Koblan, Ken S., Mosser, Scott D., Romano, Joseph J., Liverton, Nigel J.
Published in Bioorganic & medicinal chemistry letters (01.09.2009)
Published in Bioorganic & medicinal chemistry letters (01.09.2009)
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NR2B-Selective N-Methyl-d-aspartate Antagonists: Synthesis and Evaluation of 5-Substituted Benzimidazoles
McCauley, John A., Theberge, Cory R., Romano, Joseph J., Billings, Susan B., Anderson, Kenneth D., Claremon, David A., Freidinger, Roger M., Bednar, Rodney A., Mosser, Scott D., Gaul, Stanley L., Connolly, Thomas M., Condra, Cindra L., Xia, Menghang, Cunningham, Michael E., Bednar, Bohumil, Stump, Gary L., Lynch, Joseph J., Macaulay, Alison, Wafford, Keith A., Koblan, Kenneth S., Liverton, Nigel J.
Published in Journal of medicinal chemistry (08.04.2004)
Published in Journal of medicinal chemistry (08.04.2004)
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Class III Antiarrhythmic Activity in Vivo by Selective Blockade of the Slowly Activating Cardiac Delayed Rectifier Potassium Current I Ks by (R)-2-(2,4- Trifluoromethyl)-N-[2-oxo-5-phenyl- 1-(2,2,2-trifluoroethyl)-2,3-dihydro- 1H-benzo[e][1,4]diazepin-3-yl]acetamide
Selnick, Harold G, Liverton, Nigel J, Baldwin, John J, Butcher, John W, Claremon, David A, Elliott, Jason M, Freidinger, Roger M, King, Stella A, Libby, Brian E, McIntyre, Charles J, Pribush, David A, Remy, David C, Smith, Garry R, Tebben, Andrew J, Jurkiewicz, Nancy K, Lynch, Joseph J, Salata, Joseph J, Sanguinetti, Michael C, Siegl, Peter K. S, Slaughter, Donald E, Vyas, Kamlesh
Published in Journal of medicinal chemistry (21.11.1997)
Published in Journal of medicinal chemistry (21.11.1997)
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Optimization of orally bioavailable alkyl amine renin inhibitors
Xu, Zhenrong, Cacatian, Salvacion, Yuan, Jing, Simpson, Robert D., Jia, Lanqi, Zhao, Wei, Tice, Colin M., Flaherty, Patrick T., Guo, Joan, Ishchenko, Alexey, Singh, Suresh B., Wu, Zhongren, McKeever, Brian M., Scott, Boyd B., Bukhtiyarov, Yuri, Berbaum, Jennifer, Mason, Jennifer, Panemangalore, Reshma, Cappiello, Maria Grazia, Bentley, Ross, Doe, Christopher P., Harrison, Richard K., McGeehan, Gerard M., Dillard, Lawrence W., Baldwin, John J., Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (15.01.2010)
Published in Bioorganic & medicinal chemistry letters (15.01.2010)
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