TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T63505 Tyrosine-protein kinase ABL1 D0AZ3C Imatinib Approved 5291 C29H31N7O 493.6 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 IC50 = 74000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 D0E7PQ Vorinostat Approved 5311 C14H20N2O3 264.32 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 D0J9ZR Niclosamide Approved 4477 C13H8Cl2N2O4 327.12 C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 D05ADP R-roscovitine Phase 2 160355 C19H26N6O 354.4 CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 D0YX2B PMID28460551-Compound-2 Patented 5329102 C22H27FN4O2 398.5 CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\\2/C3=C(C=CC(=C3)F)NC2=O)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0AUO7 [4-[(2S)-2-Acetamido-3-[[(2S)-1-[[(2S)-1-(dioctylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Investigative 10556625 C35H61N4O8P 696.9 CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C IC50 = 95900 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0H9IG Ethyl 1-[3-oxo-3-(4-phenylmethoxyphenyl)propyl]piperidine-4-carboxylate;hydrochloride Investigative 45260866 C24H30ClNO4 431.9 CCOC(=O)C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0J7WQ 1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-phenylurea Investigative 825387 C16H14N4OS 310.4 C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 Ki = 58000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0Q3NC 3-(Dimethylamino)-1-(3-hydroxy-4-phenylmethoxyphenyl)propan-1-one;hydrochloride Investigative 45260879 C18H22ClNO3 335.8 CN(C)CCC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)O.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0WLH8 N-(7-Methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide Investigative 58056356 C17H12N4O2S 336.4 COC1=C(C=C2C=CC=NC2=C1)NC(=O)C3=CSC4=CN=CN=C43 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B0ZS7U 2-(Ethylcarbamoylamino)-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide Investigative 71655525 C16H16N6O2 324.34 CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)NC3=CC=NC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B17ENH 4-[(3-Methyl-4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]benzoic acid Investigative 137228151 C20H17N5O3 375.4 CC1=NN(C2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B19OXA 1-Propan-2-yl-3-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrazolo[3,4-d]pyrimidin-4-amine Investigative 127036143 C17H14F3N5 345.32 CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC(=CC=C3)C(F)(F)F)N IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B1K9UL 1-(4-Phenylmethoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride Investigative 45260846 C21H26ClNO2 359.9 C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B1P5ZV [1-(4-Methylpiperazin-1-yl)-3-phenylpropan-2-yl] N-(3-bromophenyl)-N-[6-methylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate Investigative 137636138 C36H40BrN7O2S 714.7 CC(CN1C2=C(C=N1)C(=NC(=N2)SC)N(C3=CC(=CC=C3)Br)C(=O)OC(CC4=CC=CC=C4)CN5CCN(CC5)C)C6=CC=CC=C6 Ki ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B1XR0L 1-Methyl-3-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Investigative 24905204 C15H12N6 276.3 CN1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)N=CC=C4)N IC50 = 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B2CME9 N-(3-Methoxyphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine Investigative 127033165 C20H16N4O 328.4 COC1=CC=CC(=C1)NC2=NC=C3C(=C2)N=C(C=N3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B2F6BW 2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzo[b]thiophene-5-carbaldehyde Investigative 24905163 C17H15N5OS 337.4 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(S3)C=CC(=C4)C=O)N IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B2NRQ3 1-[7-(3,4-Dimethoxyphenyl)-1,5-naphthyridin-2-yl]-3-ethylurea Investigative 53239374 C19H20N4O3 352.4 CCNC(=O)NC1=NC2=C(C=C1)N=CC(=C2)C3=CC(=C(C=C3)OC)OC IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B2Q4RY (2S)-2-[[(2S,3S)-2-[[(2S)-4-Carboxy-2-[[(2S)-4-carboxy-2-[[2-phenyl-3-(4-phosphonooxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid Investigative 70691280 C36H47N4O16P 822.7 CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)C2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B34OQI 1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-(2-phenylethyl)urea Investigative 53239587 C21H20N6O 372.4 CN1C=C(C=N1)C2=CC3=C(C=CC(=N3)NC(=O)NCCC4=CC=CC=C4)N=C2 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B3HGC4 3-[(E)-2-[6-(Cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(3-propan-2-ylphenyl)benzamide Investigative 44221731 C27H28N6O 452.6 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)C)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 60000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 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 T63505 Tyrosine-protein kinase ABL1 B3U5GT 3-(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide Investigative 118728502 C18H24N6O4S 420.5 CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)CO)C2=NC3=C(N=N2)N(N=C3C)C IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B3V7LZ 2-[(Dimethylamino)methyl]-3-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride Investigative 45264671 C27H32ClNO2S 470.1 CC1=C(C=C(C=C1)SCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B43WPI 3-[(E)-2-(4-Chlorophenyl)ethenyl]-N-[(2R)-2,3-dihydroxypropyl]-4-methoxybenzamide Investigative 57325478 C19H20ClNO4 361.8 COC1=C(C=C(C=C1)C(=O)NC[C@H](CO)O)/C=C/C2=CC=C(C=C2)Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B46VJZ 2-[6-(Anilinomethyl)-3-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Investigative 127043441 C21H18N6O 370.4 CC1=NN(C2=C1C(=O)N(C(=N2)CNC3=CC=CC=C3)CC#N)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4ESV1 (E)-1-(3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methylphenyl)-3-(3-(trifluoromethyl)phenyl)urea Investigative 44222636 C25H22F3N7O 493.5 CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 62000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 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 T63505 Tyrosine-protein kinase ABL1 B4HU5D Cyclapolin 9 Investigative 2779952 C9H4F3N3O4S 307.21 C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C(F)(F)F IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4HX3I 1-Isopropyl-3-(pyrimidin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Investigative 24905171 C12H13N7 255.28 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CN=CN=C3)N IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4LGE2 2-(3-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile Investigative 24905167 C16H16N6 292.34 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC(=C3)CC#N)N IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4NZ6S 3-[1-(4-Chlorobenzyl)-1h-indol-3-yl]-n-(4-nitrophenyl)propanamide Investigative 46934144 C24H20ClN3O3 433.9 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4OJF2 [4-[2-[(Dimethylamino)methyl]prop-2-enoyl]phenyl] 4-(dimethylcarbamoyl)benzenesulfonate;hydrochloride Investigative 45260823 C21H25ClN2O5S 453 CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C.Cl IC50 = 70000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4SNV3 12-Anilino-3,8-diphenyl-1,3,4,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one Investigative 134132321 C24H17N7O 419.4 C1=CC=C(C=C1)NC2=NN=C3N2C4=C(C=NN4C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6 IC50 = 150000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B4YQZ3 1-(3-Methoxyphenyl)-3-(3-phenylpyrido[3,4-b]pyrazin-8-yl)urea Investigative 127034308 C21H17N5O2 371.4 COC1=CC=CC(=C1)NC(=O)NC2=C3C(=CN=C2)N=C(C=N3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B58TMC [6-Chloro-4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate Investigative 24753787 C21H22ClN3O6S 479.9 CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)N(C)C)CC3=CC(=CC=C3)NS(=O)(=O)NC IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B5ON0T 6-(1,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine Investigative 70789254 C14H20N6 272.35 C1CCNC2(C1)CCN(CC2)C3=NC=NC4=C3NC=N4 IC50 = 126000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B5RL4N 2-[(Dimethylamino)methyl]-1-(4-phenylmethoxyphenyl)prop-2-en-1-one;hydrochloride Investigative 45260877 C19H22ClNO2 331.8 CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B5VY3S 6-(Ethoxymethyl)-3,5-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 127043205 C16H18N4O2 298.34 CCOCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N1C IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B5WB7E [[2-[(Dimethylamino)methyl]-3-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]urea;hydrochloride Investigative 45264655 C20H27ClN4O3 406.9 CN(C)CC(CNNC(=O)N)C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B60ANF Methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Investigative 46866423 C17H14FN3O4 343.31 COC1=C(C(=CC=C1)F)C(=O)NC2=CN=C3C(=C2)C=C(N3)C(=O)OC IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B65HCJ 4-[4-(2-Dimethylaminomethyl-acryloyl)-phenoxysulfonyl]-benzoic acid Investigative 10318154 C19H19NO6S 389.4 CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)O IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B6BML2 2-[6-(Chloromethyl)-3-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Investigative 127043366 C15H12ClN5O 313.74 CC1=NN(C2=C1C(=O)N(C(=N2)CCl)CC#N)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B6H9BO 5-[(2-Bromobenzoyl)amino]-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide Investigative 46861577 C20H22BrN5O2 444.3 CN(C)CCCNC(=O)C1=CC2=CC(=CN=C2N1)NC(=O)C3=CC=CC=C3Br IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B6J9NQ 4-Pyridin-4-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine Investigative 9799152 C17H12F4N4O 364.3 C1=CC(=CC(=C1)OC(C(F)F)(F)F)NC2=NC=CC(=N2)C3=CC=NC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B6RE9N 4-[[4-[2-Methylene-3-(dimethylamino)propionyl]phenoxy]sulfonyl]salicylic acid Investigative 10408993 C19H19NO7S 405.4 CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)O IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B6TCU4 N-(4-Morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine Investigative 127031677 C23H21N5O 383.4 C1COCCN1C2=CC=C(C=C2)NC3=NC=C4C(=C3)N=C(C=N4)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B74KYQ 6-(Ethoxymethyl)-3-methyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228146 C15H16N4O2 284.31 CCOCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N1 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B76FRE 1-Tert-butyl-3-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-2-yl]urea Investigative 53239375 C21H24N4O3 380.4 CC(C)(C)NC(=O)NC1=NC2=C(C=C1)N=CC(=C2)C3=CC(=C(C=C3)OC)OC IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7BZJ1 2-Cyano-2-(3,4-dihydroxy-benzyl)-thioacetamide Investigative 44318047 C10H10N2O2S 222.27 C1=CC(=C(C=C1CC(C#N)C(=S)N)O)O IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7F3GM N-(5-Tert-butyl-2-methylpyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methylbenzamide Investigative 44221732 C26H30N8O 470.6 CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C)C(C)(C)C)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 146000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7ILR1 2-[4-Amino-3-(3-ethoxy-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Investigative 52940797 C16H19N5O3 329.35 CCOC1=C(C=CC(=C1)C2=NN(C3=NC=NC(=C23)N)CCO)OC IC50 = 65000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7N1WR 3-[(E)-2-(4-Chlorophenyl)ethenyl]-N-[(2S)-2,3-dihydroxypropyl]-4-methoxybenzamide Investigative 57325479 C19H20ClNO4 361.8 COC1=C(C=C(C=C1)C(=O)NC[C@@H](CO)O)/C=C/C2=CC=C(C=C2)Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7O4PF 5-(2-Ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,3-e][1,2,4]triazine Investigative 90675937 C18H22N6O3S 402.5 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C3=NC4=C(N=N3)N(N=C4C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7P4NU N-(3-Ethynylphenyl)-2-phenylpyrido[3,4-b]pyrazin-5-amine Investigative 127031076 C21H14N4 322.4 C#CC1=CC(=CC=C1)NC2=NC=CC3=NC(=CN=C32)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7P4UH [4-[(2S)-2-Acetamido-3-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]butan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Investigative 10626988 C27H37N4O8P 576.6 C[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C IC50 = 72000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7P8DA 4-[3-(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine Investigative 90675935 C18H22N6O4S 418.5 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC4=C(N=N3)N(N=C4C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7S1XJ 4-(4-Amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorobenzamide Investigative 52942235 C15H15ClN6O 330.77 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=C(C=C3)C(=O)N)Cl)N IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7TPL6 2-(Benzylsulfanyl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Investigative 1898760 C21H18N2S2 362.5 C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=CS4 IC50 = 72000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B7ZDB8 (R)-6-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)quinoline Investigative 46232443 C17H12Cl2FNO 336.2 C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC3=C(C=C2)N=CC=C3 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B84IMW 1,3-Dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 90654804 C16H19N7O2S 373.4 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B8F2CJ 3-Methyl-6-(morpholin-4-ylmethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228154 C17H19N5O2 325.4 CC1=NN(C2=C1C(=O)NC(=N2)CN3CCOCC3)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B8FA3E 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride Investigative 3063374 C12H16ClNO 225.71 CN(C)CC(=C)C(=O)C1=CC=CC=C1.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B8MAO4 2-(4-Fluorobenzylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Investigative 1886699 C21H17FN2S2 380.5 C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)F)C#N)C4=CC=CS4 IC50 = 74000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B8P3YL 2-Amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)pyridine-3,5-dicarbonitrile Investigative 46838967 C19H11ClN4OS2 410.9 C1=CC(=CC=C1C(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N)Cl IC50 = 60000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B8YTQ3 CID 49806721 Investigative 49806721 C28H30N4O2 454.6 CCC1=CC2=C(C=C1N3CCN(CC3)C4COC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B9KQ2X N-(1,3-Dihydroxy-2-methylpropan-2-yl)-3-(1,3-dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide Investigative 118728501 C18H24N6O5S 436.5 CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(CO)CO)C2=NC3=C(N=N2)N(N=C3C)C IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B9TCH1 (4-(2-Aminophenylcarbamoyl)benzylamino)methyl nicotinate Investigative 44572384 C21H20N4O3 376.4 C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNCOC(=O)C3=CN=CC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 B9VQ1H (3Z)-5-Amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one Investigative 23647620 C13H11N3O 225.25 C1=CNC(=C1)/C=C\\2/C3=C(C=CC(=C3)N)NC2=O IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BA6QT9 6-[(4-Hydroxyanilino)methyl]-3,5-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 127045497 C20H19N5O2 361.4 CC1=NN(C2=C1C(=O)N(C(=N2)CNC3=CC=C(C=C3)O)C)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BA6TG4 (E)-N-(4-Methyl-3-(2-(6-(cyclopropylamino)-9H-purin-9-yl)vinyl)-phenyl)-3-(trifluoromethyl)benzamide Investigative 44221514 C25H21F3N6O 478.5 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 74000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BA9N2U 2-[6-(Methoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Investigative 127043202 C16H15N5O2 309.32 CC1=NN(C2=C1C(=O)N(C(=N2)COC)CC#N)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BB2S4A 2-((4-Amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one Investigative 24905149 C28H23N7O2 489.5 CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BB4I1G 1-(3-Methoxyphenyl)-3-(2-phenylpyrido[3,4-b]pyrazin-5-yl)urea Investigative 127030427 C21H17N5O2 371.4 COC1=CC=CC(=C1)NC(=O)NC2=NC=CC3=NC(=CN=C32)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BB59SE 4-[(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)amino]-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide Investigative 90654799 C17H23N7O3S 405.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)NC(CO)C(C)C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BB80MQ 2-[(Dimethylamino)methyl]-1-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropan-1-one;hydrochloride Investigative 45264640 C25H28ClNO2S 442 CN(C)CC(CSC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BBD4X5 2-(Morpholin-4-ylmethyl)-1-(4-phenylmethoxyphenyl)prop-2-en-1-one;hydrochloride Investigative 45260829 C21H24ClNO3 373.9 C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BBFY93 1-(3-Phenylpyrido[3,4-b]pyrazin-8-yl)-3-prop-2-enylurea Investigative 127032542 C17H15N5O 305.33 C=CCNC(=O)NC1=C2C(=CN=C1)N=C(C=N2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BBWU45 6-(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)quinolin-2(1H)-one Investigative 24905227 C19H18N6O 346.4 C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC5=C(C=C4)NC(=O)C=C5)N IC50 = 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BC8XV0 [4-(4-Chloro-phenyl)-pyrimidin-2-yl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine Investigative 19966997 C18H12ClF4N3O 397.8 C1=CC(=CC(=C1)OC(C(F)F)(F)F)NC2=NC=CC(=N2)C3=CC=C(C=C3)Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BCF13G Tert-butyl 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)quinolin-4-ylcarbamate Investigative 24905231 C22H25N7O2 419.5 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=CN=C4C=C3)NC(=O)OC(C)(C)C)N IC50 = 65000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BCH07I 1-Ethyl-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]urea Investigative 71655468 C16H22N6O2 330.38 CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCN(CC3)C IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BCXK97 2-[(Dimethylamino)methyl]-1-(3-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one;hydrochloride Investigative 45260812 C19H22ClNO3 347.8 CN(C)CC(=C)C(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)O.Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BDGW97 2-(4-Methylpiperazin-1-yl)ethyl N-(3-bromophenyl)-N-[6-methylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate Investigative 71762922 C29H34BrN7O2S 624.6 CC(CN1C2=C(C=N1)C(=NC(=N2)SC)N(C3=CC(=CC=C3)Br)C(=O)OCCN4CCN(CC4)C)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BDO1L8 1-(4-Phenylmethoxyphenyl)-2-(piperazin-1-ylmethyl)prop-2-en-1-one;hydrochloride Investigative 45260839 C21H25ClN2O2 372.9 C=C(CN1CCNCC1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BDV8X5 4-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-benzenesulfonamide Investigative 24905338 C14H16N6O2S 332.38 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)S(=O)(=O)N)N IC50 = 58000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BDXT45 3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione Investigative 11530963 C21H18N2O5 378.4 COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43 IC50 = 93000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BE6BF9 [4-[(2S)-2-Acetamido-3-[[(2S)-1-[3-cyclohexylpropyl(methyl)amino]-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Investigative 44300215 C25H40N3O7P 525.6 CC[C@@H](C(=O)N(C)CCCC1CCCCC1)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C IC50 = 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BF1U7Y 4-(Dimethylamino)-1-(4-phenylmethoxyphenyl)butan-1-one;hydrochloride Investigative 45260875 C19H24ClNO2 333.8 CN(C)CCCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BF3XS1 3-(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide Investigative 90675940 C20H27N7O4S 461.5 CCOC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCOCC2)C3=NC4=C(N=N3)N(N=C4C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BF4U1Y [3-(5-Chlorothiophen-3-yl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]urea Investigative 5329656 C15H9ClN4O2S 344.8 C1=CC2=C(C(=C1)NC(=O)N)C(=O)C3=C2NN=C3C4=CSC(=C4)Cl IC50 ~ 60000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BFH3Y7 6-(Anilinomethyl)-3,5-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 127043440 C20H19N5O 345.4 CC1=NN(C2=C1C(=O)N(C(=N2)CNC3=CC=CC=C3)C)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BFL57T 2-(2-Aminoethylsulfanylmethyl)-3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride Investigative 45260874 C21H29ClN2O2S 409 CN(C)CC(CSCCN)C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.Cl IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BG54RO (E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(3-(tert-butyl)phenyl)benzamide Investigative 44222286 C28H30N6O 466.6 CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)(C)C)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 59000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BGD6V8 6-(Chloromethyl)-3,5-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 127044692 C14H13ClN4O 288.73 CC1=NN(C2=C1C(=O)N(C(=N2)CCl)C)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BGVU25 N-(Pyridin-4-yl)-3-[1-(4-chlorobenzyl)indol-3-yl]-propanamide Investigative 16723801 C23H20ClN3O 389.9 C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CCC(=O)NC4=CC=NC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BH1FA3 6-(4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one Investigative 24905234 C15H11N5O2 293.28 CN1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC=CC4=O)N IC50 = 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BH1N4K 5-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridine-2-carbonitrile Investigative 24905341 C14H13N7 279.3 CC(C)N1C2=NC=NC(=C2C(=N1)C3=CN=C(C=C3)C#N)N IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BH9N3O N-(3-Methoxyphenyl)-2-phenylpyrido[3,4-b]pyrazin-5-amine Investigative 127033758 C20H16N4O 328.4 COC1=CC=CC(=C1)NC2=NC=CC3=NC(=CN=C32)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BI6S5B 1-Propanone, 3-(4-morpholinyl)-1-(4-(phenylmethoxy)phenyl)-, hydrochloride Investigative 2807057 C20H24ClNO3 361.9 C1COCCN1CCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BIC9Y6 BrC=1C=C(C=CC=1)N(C(OCCN1CCN(CC1)C)=O)C1=C2C(=NC(=N1)SCCN1CCOCC1)N(N=C2)CC(C1=CC=CC=C1)Cl Investigative 121316022 C33H40BrClN8O3S 744.1 CN1CCN(CC1)CCOC(=O)N(C2=CC(=CC=C2)Br)C3=NC(=NC4=C3C=NN4CC(C5=CC=CC=C5)Cl)SCCN6CCOCC6 Ki ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BIV45N N-Cyclohexyl-1-[(E)-styryl]pyrazolo[3,4-d]pyrimidin-4-amine Investigative 11370613 C19H21N5 319.4 C1CCC(CC1)NC2=C3C=NN(C3=NC=N2)/C=C/C4=CC=CC=C4 IC50 = 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BJ6BZ2 N-(2-Aminoethyl)-3-(1,3-dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide Investigative 90675939 C16H21N7O3S 391.5 CCOC1=C(C=C(C=C1)S(=O)(=O)NCCN)C2=NC3=C(N=N2)N(N=C3C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BK0NO8 2-[6-[(4-Hydroxyanilino)methyl]-3-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Investigative 127043621 C21H18N6O2 386.4 CC1=NN(C2=C1C(=O)N(C(=N2)CNC3=CC=C(C=C3)O)CC#N)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BK7BF6 5-[2-Ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,3-e][1,2,4]triazine Investigative 72543811 C21H29N7O3S 459.6 CCCC1=NN(C2=C1N=C(N=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BKNG37 6-(Methoxymethyl)-3-methyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228145 C14H14N4O2 270.29 CC1=NN(C2=C1C(=O)NC(=N2)COC)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BL45TP N-(4-Methyl-3-(2-(6-(methylamino)-9H-purin-9-yl)ethyl)phenyl)-3-(trifluoromethyl)-benzamide Investigative 23649898 C23H21F3N6O 454.4 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)CCN3C=NC4=C(N=CN=C43)NC IC50 = 96000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BL5SD0 2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-chromen-4-one Investigative 14624081 C21H20ClNO5 401.8 CN1CCC([C@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O IC50 = 110000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BL8E9J 6-(Methoxymethyl)-3,5-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 127043201 C15H16N4O2 284.31 CC1=NN(C2=C1C(=O)N(C(=N2)COC)C)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BLY2D9 2-Bromo-N-[2-(1H-pyrrol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide Investigative 46866425 C19H15BrN4O 395.3 C1=CC=C(C(=C1)C(=O)NC2=CN=C3C(=C2)C=C(N3)CC4=CC=CN4)Br IC50 = 63330 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BM20LA 1,3-Dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 90654802 C17H22N8O2S 402.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BM8AQ9 N-Benzyl-7-[(4-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-amine Investigative 137644946 C21H19FN4S 378.5 CSC1=NC(=C2C=CN(C2=N1)CC3=CC=C(C=C3)F)NCC4=CC=CC=C4 IC50 = 70000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BMC31A 1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea Investigative 52936268 C20H18N6O 358.4 CN1C=C(C=N1)C2=CC3=C(C=CC(=N3)NC(=O)NCC4=CC=CC=C4)N=C2 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BMP0C7 Tert-Butyl 4-(6-(4-aminophenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Investigative 44605037 C25H33N7O3 479.6 CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)N)N5CCOCC5 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BMYZ40 3-(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N,N-diethylbenzenesulfonamide Investigative 118722001 C18H24N6O3S 404.5 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)C2=NC3=C(N=N2)N(N=C3C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BN1I2G 3-(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide Investigative 90675941 C16H20N6O4S 392.4 CCOC1=C(C=C(C=C1)S(=O)(=O)NCCO)C2=NC3=C(N=N2)N(N=C3C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BN24SQ 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide Investigative 9548013 C9H4F3N3O4S2 339.3 C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])SC(F)(F)F IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BO1V0K 3-Methyl-1-phenyl-6-(piperidin-1-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228153 C18H21N5O 323.4 CC1=NN(C2=C1C(=O)NC(=N2)CN3CCCCC3)C4=CC=CC=C4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BOKJ71 N-(3-Chloro-4-fluorophenyl)-3-phenylpyrido[3,4-b]pyrazin-8-amine Investigative 127030124 C19H12ClFN4 350.8 C1=CC=C(C=C1)C2=NC3=CN=CC(=C3N=C2)NC4=CC(=C(C=C4)F)Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BPV4H6 2-(6-((R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy)quinolin-3-yl)cyclopropanecarboxamide Investigative 46232556 C21H17Cl2FN2O2 419.3 C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC3=CC(=CN=C3C=C2)C4CC4C(=O)N IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BQX3F8 2-Amino-7-methyl-4-[(4-methylphenyl)methylamino]-9H-pyrimido[4,5-b]indol-6-ol Investigative 137659496 C19H19N5O 333.4 CC1=CC=C(C=C1)CNC2=NC(=NC3=C2C4=C(N3)C=C(C(=C4)O)C)N IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BR4X5J (3-Nitro-phenyl)-(4-pyridin-4-yl-pyrimidin-2-yl)-amine Investigative 9814609 C15H11N5O2 293.28 C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CC=NC=C3 IC50 = 61000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BR8C5F 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Investigative 46838818 C22H18N2OS2 390.5 C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CSC=C4 IC50 ~ 150000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BRN8J1 N-[3-(2-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide Investigative 24822704 C25H16F3N5O 459.4 C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC4=CC(=NN34)C5=CC=NC=C5 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BS38DM 6-(Diethylaminomethyl)-3-methyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228152 C17H21N5O 311.4 CCN(CC)CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N1 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BSX1W7 4-Chloro-N'-(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)benzohydrazide Investigative 134150115 C24H17ClN6O2 456.9 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)NNC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 IC50 = 65600 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BT3H1C N-(4-Methoxyphenyl)-2-phenylpyrido[3,4-b]pyrazin-5-amine Investigative 127031384 C20H16N4O 328.4 COC1=CC=C(C=C1)NC2=NC=CC3=NC(=CN=C32)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BT59FK N-[3-[(E)-2-[6-[3-(Dimethylamino)propylamino]purin-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Investigative 44221727 C27H28F3N7O 523.6 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)/C=C/N3C=NC4=C(N=CN=C43)NCCCN(C)C IC50 = 157000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BT9FO8 1-(4-Phenylmethoxyphenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride Investigative 45260884 C22H26ClNO2 371.9 C=C(CN1CCCCC1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BTL9X5 1-Propanone, 3-(dimethylamino)-1-(4-(phenylmethoxy)phenyl)-, hydrochloride Investigative 3039850 C18H22ClNO2 319.8 CN(C)CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BU01SV (E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-[3-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]benzamide Investigative 44222822 C29H28F3N7O2 563.6 CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3CCOCC3)/C=C/N4C=NC5=C(N=CN=C54)NC6CC6 IC50 = 72000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BU4N3K Methyl 5-[(2-bromobenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Investigative 46866422 C16H12BrN3O3 374.19 COC(=O)C1=CC2=CC(=CN=C2N1)NC(=O)C3=CC=CC=C3Br IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BU9QK8 1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea Investigative 53236671 C19H16N6O 344.4 CN1C=C(C=N1)C2=CC3=C(C=CC(=N3)NC(=O)NC4=CC=CC=C4)N=C2 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BUF0Q1 Methyl 2-[2-[(dimethylamino)methyl]-3-oxo-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate;hydrochloride Investigative 45264620 C27H30ClNO4S 500 CN(C)CC(CSC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BUM7K8 5-[2-Ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,3-dimethylpyrazolo[4,3-e][1,2,4]triazine Investigative 90675933 C19H25N7O3S 431.5 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N=N3)N(N=C4C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BV2S5G (3Z)-5-Amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one Investigative 15551239 C15H15N3O 253.3 CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)N)NC2=O)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BXB01F 5-[4-Amino-1-(2,2-diethoxyethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine Investigative 122163152 C18H21N7O3 383.4 CCOC(CN1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N)OCC IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BXT47G 5-(2-Ethoxy-5-piperazin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,3-e][1,2,4]triazine Investigative 90675934 C18H23N7O3S 417.5 CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)C3=NC4=C(N=N3)N(N=C4C)C IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BY04GR 1-(4-Methylpiperazin-1-yl)propan-2-yl N-(3-bromophenyl)-N-[6-methylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate Investigative 121305843 C30H36BrN7O2S 638.6 CC(CN1C2=C(C=N1)C(=NC(=N2)SC)N(C3=CC(=CC=C3)Br)C(=O)OC(C)CN4CCN(CC4)C)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BY0G8O 2-[6-(Ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Investigative 127043619 C17H17N5O2 323.35 CCOCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)N1CC#N IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BYA5E9 1-Tert-butyl-3-[7-(4-hydroxy-3-methoxyphenyl)-1,5-naphthyridin-2-yl]urea Investigative 136065882 C20H22N4O3 366.4 CC(C)(C)NC(=O)NC1=NC2=C(C=C1)N=CC(=C2)C3=CC(=C(C=C3)O)OC IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 BZ67WY 6-[(2E)-2-[(4-Fluorophenyl)methylidene]hydrazinyl]-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one Investigative 134156776 C24H17FN6O 424.4 C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)N/N=C/C4=CC=C(C=C4)F)C5=CC=CC=C5 IC50 = 110000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 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 T63505 Tyrosine-protein kinase ABL1 BZQ5E4 6-[(4-Hydroxyanilino)methyl]-3-methyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 137228150 C19H17N5O2 347.4 CC1=NN(C2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)O)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 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 T63505 Tyrosine-protein kinase ABL1 D0CE3R SU 6656 Investigative 5312137 C19H21N3O3S 371.5 CN(C)S(=O)(=O)C1=CC\\2=C(C=C1)NC(=O)/C2=C\\C3=CC4=C(N3)CCCC4 IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 D0W7TU NSC-73306 Investigative 947057 C16H14N4O2S 326.4 . IC50 ~ 50000 nM Poor binder T63505 Tyrosine-protein kinase ABL1 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