Entry,Isomeric SMILES,"WT KD (µM)
SPR ","WT pKD
SPR ","WT pKD
SPR SD ","WT pKD
SPR SEM ","n WT
SPR ","D1228V KD (µM)
SPR ","D1228V pKD
SPR ","D1228V pKD
SPR SD","D1228V pKD
SPR SEM","n D1228V
SPR","WT IC50 (µM)
ADP-Glo","WT pIC50
ADP-Glo","WT pIC50
ADP-Glo SD","WT pIC50
ADP-Glo SEM","n WT
ADP-Glo","D1228V IC50 (µM)
ADP-Glo","D1228V pIC50
ADP-Glo","D1228V pIC50
ADP-Glo SD","D1228V pIC50
ADP-Glo SEM","n D1228V
ADP-Glo","WT AC50 (µM)
Cell HTRF","WT pAC50
Cell HTRF","WT pAC50
Cell HTRF SD","WT pAC50
Cell HTRF SEM","n WT
Cell HTRF","D1228V AC50 (µM)
Cell HTRF","D1228V pAC50
Cell HTRF","D1228V pAC50
Cell HTRF SD","D1228V pAC50
Cell HTRF SEM","n D1228V
Cell HTRF",logD,RH (µL/min/1E6),HLM (µL/min/mg)
2,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,2.5,5.6,0.087,0.026,11,2.06,5.7,0.072,0.022,11,,,,,,,,,,,,,,,,,,,,,3.192,123.494,17.801
3,C[C@@H](c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,0.92,6,0.083,0.059,2,0.684,6.2,0.099,0.07,2,,,,,,,,,,,,,,,,,,,,,3.105,133.129,7.677
4,c1ccc(cc1)Cn2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,>100,<4,N/A,N/A,2,>100,<4,N/A,N/A,2,,,,,,,,,,,,,,,,,,,,,2.998,76.703,20.562
5,CC(c1ccccc1Cl)n2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,36,4.4,0.17,0.12,2,>50.2,<4.3,N/A,N/A,2,,,,,,,,,,,,,,,,,,,,,3.626,227.137,38.299
6,CC(c1ccc(cc1)F)n2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,1.2,5.9,N/A,N/A,1,0.666,6.2,N/A,N/A,1,,,,,,,,,,,,,,,,,,,,,3.274,26.798,17.443
7,CC(c1cccc(c1)Cl)n2cc(c(=O)[nH]c2=O)c3cc(cc(c3)F)F,1,6,0.0015,0.001,2,1.5,5.8,0.031,0.022,2,,,,,,,,,,,,,,,,,,,,,3.825,177.011,27.372
8,CC(c1cccc(c1)c2cc[nH]n2)n3cc(c(=O)[nH]c3=O)c4cc(cc(c4)F)F,2.6,5.6,0.24,0.14,3,0.551,6.3,0.36,0.25,2,,,,,,,,,,,,,,,,,,,,,3.5,24.732,5.044
9,CC(c1cccc(c1)c2c[nH]nc2)n3cc(c(=O)[nH]c3=O)c4cc(cc(c4)F)F,0.8,6.1,0.042,0.03,2,0.562,6.3,0.011,0.0075,2,,,,,,,,,,,,,,,,,,,,,3.362,22.283,<3.000
10,CC(c1cccc(c1)c2cnc[nH]2)n3cc(c(=O)[nH]c3=O)c4cc(cc(c4)F)F,0.52,6.3,0.022,0.016,2,0.15,6.8,N/A,N/A,1,,,,,,,,,,,,,,,,,,,,,3.169,6.031,16.242
11,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3ccccc3,3.9,5.4,0.06,0.042,2,3.71,5.4,0.067,0.048,2,,,,,,,,,,,,,,,,,,,,,2.673,184.643,50.069
12,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3ccccn3,4.5,5.3,0.15,0.076,4,5.63,5.2,0.11,0.056,4,,,,,,,,,,,,,,,,,,,,,2.199,299.834,12.562
13,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3ncccn3,2.7,5.6,0.15,0.073,4,5.13,5.3,0.15,0.073,4,,,,,,,,,,,,,,,,,,,,,0.845,4.673,<3.000
14,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3ccc4c(c3)cc[nH]4,0.52,6.3,0.19,0.11,3,0.519,6.3,0.18,0.089,4,,,,,,,,,,,,,,,,,,,,,2.924,217.276,25.354
15,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cccc4c3[nH]nc4,0.24,6.6,0.11,0.054,4,0.0899,7,0.02,0.011,5,1.271,5.896,0.21,0.049,18,2.439,5.613,0.168,0.031,29,,,,,,,,,,,2.367,46.097,6.129
16,CC(c1cccc(c1)c2cnc[nH]2)n3cc(c(=O)[nH]c3=O)c4cccc5c4[nH]nc5,0.46,6.3,N/A,N/A,1,0.505,6.3,N/A,N/A,1,,,,,,,,,,,,,,,,,,,,,2.251,5.842,8.917
17,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cccc4c3[nH]nc4F,0.24,6.6,N/A,N/A,1,0.0127,7.9,N/A,N/A,1,0.806,6.094,0.105,0.061,3,0.234,6.631,0.035,0.016,5,,,,,,,,,,,2.968,49.402,32.437
18,Cc1c2cccc(c2[nH]n1)c3cn(c(=O)[nH]c3=O)C(C)c4ccccc4,0.18,6.7,0.02,0.014,2,0.0524,7.3,N/A,N/A,2,0.428,6.368,0.129,0.074,4,0.875,6.058,0.134,0.06,5,,,,,,,,,,,2.733,36.965,17.84
19,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cccc4c3[nH]nc4C#N,0.2,6.7,0.056,0.028,4,0.0153,7.8,0.058,0.041,4,0.497,6.303,0.032,0.019,3,0.241,6.618,0.079,0.035,5,15.8,4.8,0.19,0.07,8,1.31,5.88,0.1,0.04,8,2.904,41.434,32.728
20,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3c(ccc4c3[nH]nc4)F,0.44,6.4,0.13,0.093,2,0.176,6.8,0.014,0.0099,2,2.21,5.656,0.063,0.036,3,4.207,5.376,0.036,0.021,3,,,,,,,,,,,2.501,28.327,7.351
21,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4)F,0.12,6.9,0.0026,0.0019,2,0.054,7.3,N/A,N/A,2,0.408,6.389,0.069,0.04,3,1,6,0.071,0.032,5,13,4.89,0.1,0.03,8,6.8,5.17,0.07,0.02,8,2.529,13.971,4.039
22,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#N)F,0.087,7.1,N/A,N/A,1,0.0105,8,N/A,N/A,1,0.131,6.883,0.007,0.004,3,0.091,7.043,0.116,0.067,3,9.99,5,0.1,0.03,8,1.11,5.95,0.09,0.03,8,3.055,51.4,11.383
23,CC(c1ccccn1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#N)F,,,,,,,,,,,1.196,5.922,0.209,0.121,3,0.754,6.123,0.142,0.082,3,>29.8,4.51,N/A,N/A,8,2.29,5.64,0.19,0.07,8,2.134,3.08,<3.000
24,CC(c1ccc(cc1)F)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#N)F,,,,,,,,,,,0.305,6.516,0.163,0.094,3,0.209,6.681,0.194,0.112,3,18.7,4.73,0.1,0.04,5,2.15,5.67,0.06,0.02,5,3.155,4.399,<3.000
25,CC(c1ccc(cc1)F)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#N)F,,,,,,,,,,,0.075,7.125,0.131,0.076,3,0.056,7.249,0.055,0.032,3,4.78,5.32,0.1,0.04,5,0.863,6.06,0.06,0.03,5,3.304,5.134,<3.000
26,CC(c1ccc(cc1)F)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4)F,,,,,,,,,,,0.528,6.278,0.181,0.104,3,1.291,5.889,0.176,0.102,3,20.5,4.68,0.16,0.06,8,9.59,5.02,0.11,0.04,8,2.744,11.939,5.611
27,CC(c1ccc(cc1)F)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4)F,,,,,,,,,,,0.151,6.821,0.265,0.153,3,0.314,6.502,0.236,0.136,3,3.43,5.46,0.15,0.07,5,0.903,6.03,0.5,0.22,5,2.761,14.754,5.007
28,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cccc4c3[nH]nc4C#C,,,,,,,,,,,0.041,7.384,0.173,0.077,5,0.102,6.993,0.112,0.056,4,1.42,5.84,0.29,0.11,5,0.363,6.44,0.16,0.06,5,3.184,9.103,12.827
29,CC(c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#C)F,,,,,,,,,,,0.031,7.51,0.102,0.059,3,0.068,7.166,0.102,0.059,3,1.95,5.71,0.1,0.04,8,0.546,6.26,0.14,0.05,7,3.3,5.99,12.2
30,C[C@@H](c1ccccc1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#C)F,,,,,,,,,,,0.013,7.872,0.132,0.093,3,0.02,7.693,0.197,0.139,2,1.17,5.93,0.04,0.03,3,0.339,6.47,0.11,0.07,3,3.424,14.997,<3.000
31,CC(c1ccccn1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#C)F,,,,,,,,,,,0.055,7.256,0.255,0.148,3,0.115,6.941,0.187,0.108,3,0.888,6.05,0.18,0.06,8,0.265,6.57,0.23,0.09,8,2.5,4.81,<3.000
32,C[C@@H](c1ccccn1)n2cc(c(=O)[nH]c2=O)c3cc(cc4c3[nH]nc4C#C)F,,,,,,,,,,,0.016,7.795,0.061,0.035,3,0.06,7.225,0.032,0.023,2,0.684,6.16,0.12,0.07,3,0.245,6.61,0.14,0.08,3,2.662,6.073,18.044