TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T56418 ALK tyrosine kinase receptor B1A4EI (8S,16S)-3,16-Dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one Investigative 9547398 C27H42O3 414.6 CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3C[C@@H]([C@@H]([C@]3(CCC2=O)C)[C@H](C)CCCC(C)C)O IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor B3EPV4 N-(3-Methoxyphenyl)pyrimido[1,6-a]benzimidazol-3-amine Investigative 76314256 C17H14N4O 290.32 COC1=CC=CC(=C1)NC2=CC3=NC4=CC=CC=C4N3C=N2 IC50 = 51000 nM Poor binder T56418 ALK tyrosine kinase receptor B64OVL 4-Chloropyrazino[1,2-a]benzimidazole Investigative 76321541 C10H6ClN3 203.63 C1=CC=C2C(=C1)N=C3N2C(=CN=C3)Cl IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor BC8R5A 7-Bromo-N-phenylquinolin-4-amine Investigative 50877838 C15H11BrN2 299.16 C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Br IC50 = 59100 nM Poor binder T56418 ALK tyrosine kinase receptor BD6JP4 4,7-Bis[4-(4-methylpiperazin-1-yl)phenyl]pyrazino[1,2-a]benzimidazole Investigative 76332387 C32H35N7 517.7 CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N=C5N4C(=CN=C5)C6=CC=C(C=C6)N7CCN(CC7)C IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor BDK9R0 Calicoferol C Investigative 10024683 C28H44O2 412.6 CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@H]2O)C)[C@H](C)CCC(=C)C(C)C IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor BF32AR Calicoferol B Investigative 10047545 C27H44O3 416.6 CC1=C(C=C(C=C1)O)CC[C@@H]2[C@@H](CC[C@]3([C@H]2C[C@@H]([C@@H]3[C@H](C)CCCC(C)C)O)C)O IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor BJ3AL0 8-Bromo-3-chloropyrimido[1,6-a]benzimidazole Investigative 76332386 C10H5BrClN3 282.52 C1=CC2=C(C=C1Br)N3C=NC(=CC3=N2)Cl IC50 ~ 50000 nM Poor binder T56418 ALK tyrosine kinase receptor BME1I7 8-Bromo-N-phenylpyrimido[1,6-a]benzimidazol-3-amine Investigative 76310629 C16H11BrN4 339.19 C1=CC=C(C=C1)NC2=CC3=NC4=C(N3C=N2)C=C(C=C4)Br IC50 = 69000 nM Poor binder T56418 ALK tyrosine kinase receptor BNZ14E N-Phenylpyrimido[1,6-a]benzimidazol-3-amine Investigative 76317829 C16H12N4 260.29 C1=CC=C(C=C1)NC2=CC3=NC4=CC=CC=C4N3C=N2 IC50 = 52000 nM Poor binder T56418 ALK tyrosine kinase receptor BS17RP 7-Bromo-4-chloropyrazino[1,2-a]benzimidazole Investigative 76317830 C10H5BrClN3 282.52 C1=CC2=C(C=C1Br)N3C(=CN=CC3=N2)Cl IC50 ~ 50000 nM Poor binder T56418 ALK tyrosine kinase receptor BSTV54 N-Phenylquinolin-4-amine Investigative 5124249 C15H12N2 220.27 C1=CC=C(C=C1)NC2=CC=NC3=CC=CC=C32 IC50 = 112000 nM Poor binder T56418 ALK tyrosine kinase receptor BW9F6N 3-Chloropyrimido[1,6-a]benzimidazole Investigative 76325144 C10H6ClN3 203.63 C1=CC=C2C(=C1)N=C3N2C=NC(=C3)Cl IC50 ~ 100000 nM Poor binder T56418 ALK tyrosine kinase receptor BZA59X 3-((4-(Dimethylamino)naphthalen-1-yl)methylene)-4-methylindolin-2-one Investigative 46233185 C22H20N2O 328.4 CC1=C\\2C(=CC=C1)NC(=O)/C2=C\\C3=CC=C(C4=CC=CC=C34)N(C)C IC50 ~ 50000 nM Poor binder T56418 ALK tyrosine kinase receptor D00ATA (Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one Investigative 5908088 C13H10N2O 210.23 C1=CC=C2C(=C1)/C(=C/C3=CC=CN3)/C(=O)N2 IC50 ~ 50000 nM Poor binder T56418 ALK tyrosine kinase receptor D0Y1UL (E)-3-(4-hydroxybenzylidene)indolin-2-one Investigative 10561847 C15H11NO2 237.25 C1=CC=C2C(=C1)/C(=C\\C3=CC=C(C=C3)O)/C(=O)N2 IC50 ~ 50000 nM Poor binder