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8
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68349154213
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S.P. Patel, P.M. Cameron, S.J. O'Keefe, B. Frantz-Wattley, J.B. Thompson, E.A. O'Neill, T. Tennis, L. Liu, J.W. Becker, and G. Scapin Acta Crystallogr., Sect. D 65 2009 777
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9
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36849034334
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S.J. O'Keefe, J.S. Mudgett, S. Cupo, J.N. Parsons, N.A. Chartrain, C. Fitzgerald, S.-L. Chen, K. Lowitz, C. Rasa, D. Visco, S. Luell, E. Carballo-Jane, K. Owens, and D.M. Zaller J. Biol. Chem. 282 2007 34663
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O'Keefe, S.J.1
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Chartrain, N.A.5
Fitzgerald, C.6
Chen, S.-L.7
Lowitz, K.8
Rasa, C.9
Visco, D.10
Luell, S.11
Carballo-Jane, E.12
Owens, K.13
Zaller, D.M.14
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10
-
-
77950864469
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R.M. Tynebor, M.-H. Chen, S.R. Natarajan, E.A. O'Neill, J.E. Thompson, C.E. Fitzgerald, S.J. O'Keefe, and J.B. Doherty Bioorg. Med. Chem. Lett. 20 2010 2765
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Fitzgerald, C.E.6
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Doherty, J.B.8
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11
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78650517345
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(a) Bemis, G. W.; Salituro, F. G.; Duffy, J. P.; Harrington, E. M. U.S. Patent 6147,080, 2000; (b) Salituro, F.; Bemis, G.; Cochran, J. WO 99/64,400.
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(a) Bemis, G. W.; Salituro, F. G.; Duffy, J. P.; Harrington, E. M. U.S. Patent 6147,080, 2000; (b) Salituro, F.; Bemis, G.; Cochran, J. WO 99/64,400.
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-
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13
-
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54549083435
-
-
B. Herberich, G.-Q. Cao, P.P. Chakrabarti, J.R. Falsey, L. Pettus, R.M. Rzasa, A.B. Reed, A. Reichelt, K. Sham, M. Thaman, R.P. Wurz, S. Xu, D. Zhang, F. Hsieh, M.R. Lee, R. Syed, V. Li, D. Grosfeld, M.H. Plant, B. Henkle, L. Sherman, S. Middleton, L.M. Wong, and A.S. Tasker J. Med. Chem. 51 2008 6271
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J. Med. Chem.
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Herberich, B.1
Cao, G.-Q.2
Chakrabarti, P.P.3
Falsey, J.R.4
Pettus, L.5
Rzasa, R.M.6
Reed, A.B.7
Reichelt, A.8
Sham, K.9
Thaman, M.10
Wurz, R.P.11
Xu, S.12
Zhang, D.13
Hsieh, F.14
Lee, M.R.15
Syed, R.16
Li, V.17
Grosfeld, D.18
Plant, M.H.19
Henkle, B.20
Sherman, L.21
Middleton, S.22
Wong, L.M.23
Tasker, A.S.24
more..
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14
-
-
78650516021
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-
In house data
-
In house data.
-
-
-
-
15
-
-
10744219935
-
-
L. Liu, J.E. Stelmach, S.R. Natarajan, M.H. Chen, S.B. Singh, C.D. Schwartz, C.E. Fitzgerald, S.J. O'Keefe, D.M. Zaller, D.M. Schmatz, and J.B. Doherty Bioorg. Med. Chem. Lett. 13 2003 3979
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(2003)
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-
Liu, L.1
Stelmach, J.E.2
Natarajan, S.R.3
Chen, M.H.4
Singh, S.B.5
Schwartz, C.D.6
Fitzgerald, C.E.7
O'Keefe, S.J.8
Zaller, D.M.9
Schmatz, D.M.10
Doherty, J.B.11
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16
-
-
0033578080
-
-
N.J. Liverton, J.W. Butcher, C.F. Claiborne, D.A. Claremon, B.E. Libby, K.T. Ngyuen, S.M. Pitzenberger, H.G. Selnick, G.R. Smith, A. Tebben, J.P. Vacca, S.L. Varga, L. Agarwal, K. Dancheck, A.J. Forsyth, D.S. Fletcher, B. Frantz, W.A. Hanlon, C.F. Harper, S.J. Hofsess, M. Kostura, J. Lin, S. Luell, E.A. O'Neill, C.J. Orevillo, M. Pang, J. Parsons, A. Rolando, Y. Sahly, D.M. Visco, and S.J. O'Keefe J. Med. Chem. 42 1999 2180
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(1999)
J. Med. Chem.
, vol.42
, pp. 2180
-
-
Liverton, N.J.1
Butcher, J.W.2
Claiborne, C.F.3
Claremon, D.A.4
Libby, B.E.5
Ngyuen, K.T.6
Pitzenberger, S.M.7
Selnick, H.G.8
Smith, G.R.9
Tebben, A.10
Vacca, J.P.11
Varga, S.L.12
Agarwal, L.13
Dancheck, K.14
Forsyth, A.J.15
Fletcher, D.S.16
Frantz, B.17
Hanlon, W.A.18
Harper, C.F.19
Hofsess, S.J.20
Kostura, M.21
Lin, J.22
Luell, S.23
O'Neill, E.A.24
Orevillo, C.J.25
Pang, M.26
Parsons, J.27
Rolando, A.28
Sahly, Y.29
Visco, D.M.30
O'Keefe, S.J.31
more..
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17
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-
78650515738
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-
note
-
50s are means of two experiments.
-
-
-
-
18
-
-
78650511720
-
-
note
-
Computed using the mixed torsional/low-mode sampling algorithm as implemented in Maestro v 9.02 from the software company, Schrodinger. Used the MMFFs force field in the gas phase with a distance dielectric constant of 2.
-
-
-
-
19
-
-
78650511321
-
-
note
-
Calculated Log D values: 5 = 6.08 ± 0.88, 19 = 4.53 ± 0.90. ACDLabs 11.0.
-
-
-
-
20
-
-
33745114654
-
-
S.R. Natarajan, M.-H. Chen, S.T. Heller, R.M. Tynebor, E.M. Crawford, C. Minxiang, H. Kaizheng, J. Dong, B. Hu, W. Hao, and S.-H. Chen Tetrahedron Lett. 47 2006 5063
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(2006)
Tetrahedron Lett.
, vol.47
, pp. 5063
-
-
Natarajan, S.R.1
Chen, M.-H.2
Heller, S.T.3
Tynebor, R.M.4
Crawford, E.M.5
Minxiang, C.6
Kaizheng, H.7
Dong, J.8
Hu, B.9
Hao, W.10
Chen, S.-H.11
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21
-
-
78650516370
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-
note
-
50s are means from three measurements.
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