TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T30829 NIMA-related kinase 6 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 T30829 NIMA-related kinase 6 B1VO9R Calicoferol E Investigative 5283685 C27H42O2 398.6 CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)[C@H](C)CCCC(C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 B4YXC8 7-[[(1R,2S,4Ar,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-methoxy-2-methyl-1,3-benzoxazol-6-ol Investigative 76335685 C24H33NO3 383.5 C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC3=C4C(=CC(=C3O)OC)N=C(O4)C)CCC=C2C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BCG3J8 2,3,6,8-Tetrahydroxy-1-methylxanthone Investigative 10423452 C14H10O6 274.22 CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O IC50 = 67800 nM Poor binder T30829 NIMA-related kinase 6 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 T30829 NIMA-related kinase 6 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 T30829 NIMA-related kinase 6 BG37WO Astrogorgiadiol B Investigative 5283727 C27H44O2 400.6 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)CCCC(C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BQS51E Calicoferol A Investigative 9547698 C27H40O2 396.6 CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)[C@H](C)/C=C/CC(C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BVI90B Chembl4276946 Investigative 134611886 C12H11Cl2N3O 284.14 CC1=NN(C(=C1C2=CC(=C(C=C2)Cl)Cl)N)C(=O)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BX0D7J Rel-Astrogorgol F Investigative 54764923 C27H42O2 398.6 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)/C=C/CC(C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BYB0C2 24-Exomethylenecalicoferol E Investigative 10047202 C28H42O2 410.6 CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)[C@H](C)CCC(=C)C(C)C IC50 ~ 100000 nM Poor binder T30829 NIMA-related kinase 6 BZR76B Norlichexanthone Investigative 5281657 C14H10O5 258.23 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O IC50 ~ 100000 nM Poor binder