TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T46781 Aurora kinase B D00FGR Miltefosine Approved 3599 C21H46NO4P 407.6 CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B D04XGT Benznidazole Approved 31593 C12H12N4O3 260.25 C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B D05EAM Pentamidine Approved 4735 C19H24N4O2 340.4 C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B0P4NS 2-(2,5-Difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one Investigative 11667761 C19H15F2N5O 367.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=C(C=CC(=C4)F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B13UPZ 2-(6-Amino-9H-purine-9-yl)-1-(1H-indole-3-yl)ethanone Investigative 42603880 C15H12N6O 292.3 C1=CC=C2C(=C1)C(=CN2)C(=O)CN3C=NC4=C(N=CN=C43)N IC50 = 69000 nM Poor binder T46781 Aurora kinase B B19QML 2-Benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11587983 C19H17N5O 331.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B B1TDK2 Tert-butyl N-[(2R)-1-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Investigative 137649033 C24H28BrN5O3S 546.5 CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B B2EX3Y 4-(1-Methylbenzimidazol-2-yl)-N-(4-methylphenyl)pyrimidin-2-amine Investigative 60165994 C19H17N5 315.4 CC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=NC4=CC=CC=C4N3C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B2JVZ9 Tert-butyl N-[(2R)-1-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-1-oxopropan-2-yl]carbamate Investigative 137648629 C22H24BrN5O3 486.4 C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B2LQ0P Clc1ccc(NC(=O)Nc2ccc(COc3ccc4nc(NCCN5CCOCC5)oc4c3)cc2)cc1 Investigative 127044457 C27H28ClN5O4 522 C1COCCN1CCNC2=NC3=C(O2)C=C(C=C3)OCC4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)Cl IC50 = 50400 nM Poor binder T46781 Aurora kinase B B30DQK 7-Iodoindirubin-3-acetoxime Investigative 136104464 C18H12IN3O3 445.2 CC(=O)O/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4I)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B30PTF 4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(2-oxo-2-phenylethyl)phthalazin-1(2H)-one Investigative 21106492 C20H17N5O2 359.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B35CDQ 7-Chloroindirubin-3-acetoxime Investigative 136104462 C18H12ClN3O3 353.8 CC(=O)O/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4Cl)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B3CSZ2 N-(2-Chloro-4-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 68291028 C17H14ClN5O 339.8 COC1=CC(=C(C=C1)NC2=NC=C3C=C(NC3=C2)C4=CNN=C4)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B3KPB9 7-Bromoindirubin Investigative 135423783 C16H9BrN2O2 341.16 C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=CC=C4Br)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B3LYC9 4-(1-Methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine Investigative 60166135 C22H22N6O 386.4 CN1C2=CC=CC=C2N=C1C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B3T9QN Methyl 4-(6-(4-(methoxycarbonylamino)phenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Investigative 44219749 C24H29N7O5 495.5 COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5 IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B B3Z2PX 7-Iodoindirubin-3-methoxime Investigative 136104469 C17H12IN3O2 417.2 CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4I)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B4G2QZ Methyl 4-(6-(4-aminophenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Investigative 44605035 C22H27N7O3 437.5 COC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)N)N5CCOCC5 IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B B4JC3D N-(2,4-Dimethoxyphenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 76335739 C20H18F3N5O2 417.4 CN1C=C(C(=N1)C(F)(F)F)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)OC)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B4MB3O 2-(3-Methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11645638 C19H17N5O 331.4 CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=NNC(=C4)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B4MDR2 Tert-butyl N-[(2R)-4-methylsulfanyl-1-oxo-1-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]butan-2-yl]carbamate Investigative 137649545 C25H28F3N5O3S 535.6 CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B B51ZTE 2-[(3,5-Difluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11603072 C19H15F2N5O 367.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=CC(=C4)F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B57DPR CID 66548650 Investigative 66548650 C19H16F3N5O 387.4 COC1=CC=CC=C1NC2=NC=C3C=C(NC3=C2)C4=CN(N=C4)CC(F)(F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B5JKD1 N-(4-Chlorophenyl)-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-amine Investigative 60165995 C18H14ClN5 335.8 CN1C2=CC=CC=C2N=C1C3=NC(=NC=C3)NC4=CC=C(C=C4)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B5NSE7 4-(4-Methyl-1H-indol-5-ylamino)-5-(3-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile Investigative 45375865 C28H28N6O2S 512.6 CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3/C=C/C4=CC(=CC=C4)S(=O)(=O)N5CCN(CC5)C)C#N IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B B61HPW 3-Methoxy-N,N-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide Investigative 68290592 C21H22N6O2 390.4 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)C(=O)N(C)C)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B65WVG N-(2-Methoxyphenyl)-2-(1-methyl-1H-pyrazole-4-yl)-1H-pyrrolo[3,2-c]pyridine-6-amine Investigative 68290919 C18H17N5O 319.4 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=CC=CC=C4OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B78XTR Chembl4289343 Investigative 141483896 C18H14N6O2 346.3 CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B7NT9G N-(2-Methoxyphenyl)-2-(1H-pyrazole-4-yl)-1H-pyrrolo[3,2-c]pyridine-6-amine Investigative 68291375 C17H15N5O 305.33 COC1=CC=CC=C1NC2=NC=C3C=C(NC3=C2)C4=CNN=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B7VIZ5 Tert-butyl N-[(2R)-1-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-1-oxopropan-2-yl]carbamate Investigative 134827836 C22H23ClFN5O3 459.9 C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B8CA1J 7-Bromoindirubin-3-methoxime Investigative 136104468 C17H12BrN3O2 370.2 CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4Br)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B97XCE Tert-butyl N-[2-[[4-(2,6-dimethylanilino)quinazolin-6-yl]amino]-2-oxoethyl]carbamate Investigative 137634130 C23H27N5O3 421.5 CC1=C(C(=CC=C1)C)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CNC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B B9AGZ0 2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one Investigative 21106464 C21H19N5O3 389.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC(=CC=C4)OC IC50 = 67000 nM Poor binder T46781 Aurora kinase B BA62QX 4-(4-Methyl-1H-indol-5-ylamino)-2-(3-oxo-3-(pyrrolidin-1-yl)prop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile Investigative 24766030 C24H21N5OS 427.5 CC1=C(C=CC2=C1C=CN2)NC3=C4C=C(SC4=NC=C3C#N)/C=C/C(=O)N5CCCC5 IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B BAJO26 4-(1h-Pyrazol-3-ylamino)-2-p-tolyl-2h-phthalazin-1-one Investigative 11681497 C19H17N5O 331.4 CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=NNC(=C4)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BB4PY9 Tert-butyl N-[(2R)-1-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Investigative 134827837 C25H29ClFN5O3 502 CC(C)C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BC3H1K N-(2-Ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 66548850 C18H17N5O 319.4 CCOC1=CC=CC=C1NC2=NC=C3C=C(NC3=C2)C4=CNN=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BC6T4R 2-[1-(Difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 66548653 C18H15F2N5O 355.3 COC1=CC=CC=C1NC2=NC=C3C=C(NC3=C2)C4=CN(N=C4)C(F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BDB5P1 Chembl4276766 Investigative 145984157 C31H36N6O5 572.7 CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)N4CCC(CC4)C(=O)OC(C)(C)C)C(=O)C5=C(C=CC=C5OC)OC IC50 ~ 60000 nM Poor binder T46781 Aurora kinase B BDJ35Q 2-[9-(4-Amino-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide Investigative 44427519 C34H35N5O4 577.7 CC(C)(C1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)N)OC)C(=O)N2)C(=O)NC5=CC=C(C=C5)N6CCOCC6 IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B BDLU43 2-(4-Fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11624169 C18H14FN5O 335.3 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BE46DN 7-Fluoroindirubin-3-methoxime Investigative 136104467 C17H12FN3O2 309.29 CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4F)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BEQ7V4 2-(1,5-Dimethylpyrazol-4-yl)-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 76313985 C19H19N5O 333.4 CC1=C(C=NN1C)C2=CC3=CN=C(C=C3N2)NC4=CC=CC=C4OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BF2QI1 N-(2-Chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide Investigative 44139710 C31H31ClFN7O2 588.1 CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B BF73GC 2-(4-Chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11617275 C18H14ClN5O 351.8 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BFNL14 Chembl4282545 Investigative 145980665 C18H14ClN5 335.8 CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)Cl)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BG4X8P Tert-butyl N-[(2R)-1-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Investigative 137633742 C24H27ClFN5O3 488 CC(C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BG8I2U Tert-butyl N-[(2R,3S)-1-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate Investigative 137640413 C25H29ClFN5O3 502 CC[C@H](C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BG9CY0 2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one Investigative 11501979 C21H19N5O3 389.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BGB87F 2-[(4-Fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11508531 C19H16FN5O 349.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)F IC50 = 69000 nM Poor binder T46781 Aurora kinase B BGN94P 7-Chloroindirubin Investigative 135423851 C16H9ClN2O2 296.71 C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=CC=C4Cl)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BHI65O 3-Chloro-N,N-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide Investigative 68291099 C19H19ClN6O2S 430.9 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)S(=O)(=O)N(C)C)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BHV6I3 4-(1-Methylbenzimidazol-2-yl)-N-phenylpyrimidin-2-amine Investigative 60165993 C18H15N5 301.3 CN1C2=CC=CC=C2N=C1C3=NC(=NC=C3)NC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BIKV80 3-[[2-(2-Fluorophenyl)pyridin-4-yl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione Investigative 44575073 C23H18FN3O2 387.4 C[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC(=NC=C3)C4=CC=CC=C4F IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B BK2X9I 2-(4-Methoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Investigative 11537541 C19H17N5O2 347.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BKMO25 N-[2-Methoxy-5-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 76317532 C19H16F3N5O 387.4 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=CC(=C4)C(F)(F)F)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BL1WQ6 Chembl4285937 Investigative 145993303 C20H16ClN5O 377.8 CC1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)C(=N2)NC4=NNC(=C4)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BLT7V0 Methyl 3-[[2-hydroxy-5-[4-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]triazol-1-yl]benzoyl]amino]benzoate Investigative 127031808 C22H20N6O5 448.4 CC1=CC(=NO1)NCC2=CN(N=N2)C3=CC(=C(C=C3)O)C(=O)NC4=CC=CC(=C4)C(=O)OC IC50 = 54800 nM Poor binder T46781 Aurora kinase B BLUE24 Abelcet Investigative 118705500 C47H73NO17 924.1 C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BM69UH CID 68290918 Investigative 68290918 C22H21ClN6O3S 485 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)C(=O)N5CCS(=O)(=O)CC5)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BMTS94 6-Methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile Investigative 45375866 C29H30N6O2S 526.7 CC1=C(C=CC2=C1C=CN2)NC3=C(C(=NC=C3C#N)C)/C=C/C4=CC(=CC=C4)S(=O)(=O)N5CCN(CC5)C IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B BN84BI N-(2-Chlorophenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 76313984 C16H12ClN5 309.75 C1=CC=C(C(=C1)NC2=NC=C3C=C(NC3=C2)C4=CNN=C4)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BNQ1U5 Tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]butan-2-yl]carbamate Investigative 137652990 C25H28F3N5O3 503.5 CC(C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BNTQ40 Tert-butyl N-[(2R)-1-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Investigative 137644944 C25H30BrN5O3 528.4 CC(C)C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BNUQ61 7-Fluoroindirubin Investigative 135423852 C16H9FN2O2 280.25 C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=CC=C4F)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BP4ZK0 Tert-butyl N-[(2R,3S)-1-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate Investigative 137636602 C25H30BrN5O3 528.4 CC[C@H](C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BQ2N5U 4-(5-Methyl-1H-pyrazol-3-ylamino)-2-[2-oxo-2-(4-trifluoromethylphenyl)ethyl]-2H-phthalazin-1-one Investigative 21106491 C21H16F3N5O2 427.4 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)C(F)(F)F IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BQ85PE Tert-butyl N-[2-oxo-2-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]ethyl]carbamate Investigative 137646574 C22H22F3N5O3 461.4 CC(C)(C)OC(=O)NCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F IC50 = 51000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B BR41TG N-[2-Chloro-4-(4-methoxypiperidinocarbonyl)phenyl]-2-(1-methyl-1H-pyrazole-4-yl)-1H-pyrrolo[3,2-c]pyridine-6-amine Investigative 68290875 C24H25ClN6O2 464.9 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)C(=O)N5CCC(CC5)OC)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BRW6S0 2-(4-Tert-Butylphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one Investigative 11710518 C22H23N5O 373.5 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C IC50 ~ 50000 nM Poor binder T46781 Aurora kinase B BSI6U9 Tert-butyl N-[(2R)-1-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Investigative 137654305 C24H27ClFN5O3S 520 CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BSY5C8 Tert-butyl N-[(2R,3S)-3-methyl-1-oxo-1-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]pentan-2-yl]carbamate Investigative 137658608 C26H30F3N5O3 517.5 CC[C@H](C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BTL15P 2-(1,3-Dimethyl-1H-pyrazole-4-yl)-6-chloro-7-[4-(phenylcarbamoyl)phenoxy]-3H-imidazo[4,5-b]pyridine Investigative 72734886 C24H19ClN6O2 458.9 CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)OC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)Cl)C IC50 = 76840 nM Poor binder T46781 Aurora kinase B BUDP24 Tert-butyl N-[(2R)-1-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Investigative 137638900 C24H28BrN5O3 514.4 CC(C)[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BV18AR (3Z)-7-Iodo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one Investigative 135423784 C16H9IN2O2 388.16 C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=CC=C4I)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BV26FR N-(2-Chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine Investigative 68291448 C17H14ClN5 323.8 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=CC=CC=C4Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BV51JC 7-Chloroindirubin-3-methoxime Investigative 136104463 C17H12ClN3O2 325.7 CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC=C4Cl)O IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BV94MX Methyl 3-[1-[4-hydroxy-3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]benzoate Investigative 118710482 C24H17F3N4O4 482.4 COC(=O)C1=CC=CC(=C1)C2=CN(N=N2)C3=CC(=C(C=C3)O)C(=O)NC4=CC=CC(=C4)C(F)(F)F IC50 = 63200 nM Poor binder T46781 Aurora kinase B BV9WQ8 N-(4-Ethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-amine Investigative 60166136 C20H19N5O 345.4 CCOC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=NC4=CC=CC=C4N3C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BVMW32 N-(4-Methoxyphenyl)-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-amine Investigative 60166137 C19H17N5O 331.4 CN1C2=CC=CC=C2N=C1C3=NC(=NC=C3)NC4=CC=C(C=C4)OC IC50 = 62000 nM Poor binder T46781 Aurora kinase B BVW47M 1,3-Dimethyl-7-(1-methylbenzimidazol-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione Investigative 60165992 C17H15N5O2 321.33 CN1C2=CC=CC=C2N=C1C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BW0JC8 Chembl4290414 Investigative 145988464 C20H16ClN5O2 393.8 CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)Cl)C(=O)C4=CC=C(C=C4)OC IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BWTX40 4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One Investigative 11652621 C18H15N5O 317.3 CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BWZ04D Tert-butyl N-[(2R)-1-oxo-1-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]propan-2-yl]carbamate Investigative 137658479 C23H24F3N5O3 475.5 C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BX6G5I N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine Investigative 66548458 C17H14N4O2 306.32 COC1=CC=CC=C1NC2=NC=C3C=C(NC3=C2)C4=CN=CO4 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BY53OT 3-Chloro-N,N-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide Investigative 68290838 C20H19ClN6O 394.9 CN1C=C(C=N1)C2=CC3=CN=C(C=C3N2)NC4=C(C=C(C=C4)C(=O)N(C)C)Cl IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B BY7MP5 5-(1H-Indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one Investigative 118723185 C21H19N3O4 377.4 COC1=CC(=CC(=C1OC)OC)C2=NC(=CNC2=O)C3=CNC4=CC=CC=C43 IC50 ~ 100000 nM Poor binder T46781 Aurora kinase B 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 T46781 Aurora kinase B BYWO86 Tert-butyl N-[(2R)-4-methyl-1-oxo-1-[[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]amino]pentan-2-yl]carbamate Investigative 137637664 C26H30F3N5O3 517.5 CC(C)C[C@H](C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C IC50 ~ 100000 nM Poor binder