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. 2020 Jan 13;25(2):325. doi: 10.3390/molecules25020325

Table 1.

The inhibitors acquired and tested and their scaffold types. DSF results are a mean of n = 3 runs. IC50 values were generated in an 8-point full dose response assay. (* Assay interference; # n = 1).

Scaffold Inhibitor CAMKK1 ΔTm (°C) CAMKK2 ΔTm (°C) PoC (1.0, 0.1, 0.01 µM) IC50 (nM)
2,4-dianilinopyrimidine AP26113 9.6 13.6 2 20 60 16
2,4-dianilinopyrimidine ALK-IN-1 10.6 14.9 3 34 62 28
2,4-dianilinopyrimidine TAE684 9.5 13.3 42 87 97
2,4-dianilinopyrimidine TAE226 6.6 10.5 90 97 104
2,4-dianilinopyrimidine CZC 25146 4 9.1 93 101 96
2-aminopyrimidine CHIR99021 0.2 1 96 101 98
2-anilino-4-alkyl-aminopyrimidine PF03814735 7 11 20 70 92 227
2-anilino-4-alkyl-aminopyrimidine- BX912 1.7 7.6 26 90 100
2-anilino-4-alkyl aminopyrimidine BX795 2 9.1 33 80 97
2-anilino-4-alkyl-aminopyrimidine MRT67307 2.3 9.6 35 86 92
2-anilino-4-aryl-pyrimidine AZD 3463 12.2 12.7 26 74 103 185
2-anilino-4-aryl-pyrimidine Pacritinib 7.4 10.1 31 78 96
4,6-disubstituted-pyrimidine BGJ 398 0.2 0 96 99 100
Amide hinge binder Gilteritinib 10 11.7 18 74 84 204
Aminobenzothiazole (Type II) TAK632 5.9 2.3 82 87 92
Aminopyrazole XL228 8.6 9.9 26 65 94
Aminopyrazole PF3758309 6.2 9.6 71 78 95
Aminotriazole CDK 1/2 Inhibitor III 9.2 13.3 3 17 69 19
Azaindole GSK650394 15.8 20.7 3 4 14 3
Benzimidazole CP 673451 12.6 16.8 17 46 88 73
Benzimidazole Crenolanib 13.9 17.6 47 92 118
Benzimidazole GSK461364 0 1.6 92 96 95
Flavone Alvocidib 7 5.9 29 62 102
Fused pyrimidine BI2536 8.9 9.9 54 70 101 96
Fused pyrimidine BI6727 7.7 7.9 75 94 104
Fused pyrimidine Milciclib 7 9.5 76 105 107
Fused pyrimidine MLN 0905 1.2 0.3 86 95 99
Fused pyrimidine MK1775 4.2 5.3 99 99 101
Imidazopyridazine (Type II) Ponatinib 9.4 10.9 53 92 99
Indazole KW2449 5.3 6.4 42 84 96
Miscellaneous STO 609 7.6 11.3 21 56 63 58
Oxindole JAK3 Inhibitor VI 7.8 12.4 21 81 87 26
Oxindole PHA665752 * * 67 93 109
Oxindole SU6656 * * 71 86 95
Oxindole Hesperadin 8.6 11.5 84 95 99
Oxindole BIO 13.4 # 7.2 # 89 100 102
Purine Aminopurvalanol 6.9 8.3 22 80 100
Pyrazolo-pyrimidine LDN 193189 4.8 9.1 50 62 68 146
Pyrazolo-pyrimidine Dorsomorphin 7.4 8.9 58 96 100
Pyridine (Type II) Rebasitinib 6.4 8.7 81 93 95
Pyrrolotriazine Brivanib 0.7 0 100 100 101
Quinoline OTSSP167 16.6 16.7 0 49 84 86
Quinoline Pelitinib 5.8 8.1 60 84 100
Quinolines GSK1059615 2 6.7 34 81 92
Quinolines Ro 3306 0 5.8 88 94 94
Staurosporine Analogue Lestaurtinib 18.4 16.3 3 33 64 25
Staurosporine Analogue K252a 16.7 15.3 31 4 99
Staurosporine Analogue Midostaurin 15.2 12.8 38 82 97
Staurosporine Analogue SB 218078 22.3 9.8 64 86 98
Staurosporine Analogue Go6976 9.6 9 80 92 97
Staurosporine Analogue Ro 31-8220 1.9 5.7 85 100 100
Triazolopyridine Filgotinib 0 0.5 72 86 96