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 B6H8GM 6-Methyl-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Investigative 135402910 C13H9Cl3N4OS 375.7 CC1=NC2=C(C(=O)N1)C(=NN2C3=C(C=C(C=C3Cl)Cl)Cl)SC IC50 > 500000 nM Non binder T63505 Tyrosine-protein kinase ABL1 B7E5RS 8-(Trifluoromethyl)-7H-purin-6-amine Investigative 3635406 C6H4F3N5 203.12 C1=NC(=C2C(=N1)N=C(N2)C(F)(F)F)N IC50 = 380000 nM Non binder T63505 Tyrosine-protein kinase ABL1 B7JYB4 N-(5-Tert-butyl-1,3-thiazol-2-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methylbenzamide Investigative 44222458 C25H27N7OS 473.6 CC1=C(C=C(C=C1)C(=O)NC2=NC=C(S2)C(C)(C)C)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 267000 nM Non binder T63505 Tyrosine-protein kinase ABL1 B7P4ZG 1-[2-(Furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one Investigative 51346068 C11H13NO2 191.23 C=CC(=O)N1CCCC1C2=CC=CO2 Ki > 1250000 nM Non binder T63505 Tyrosine-protein kinase ABL1 B8PU2Q (E)-N-(4-Methyl-3-(2-(6-(pyridine-2-yl-amino)-9H-purin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)-benzamide Investigative 44222109 C27H20F3N7O 515.5 CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)/C=C/N3C=NC4=C(N=CN=C43)NC5=CC=CC=N5 IC50 = 243000 nM Non binder T63505 Tyrosine-protein kinase ABL1 BGOV48 (E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(2-fluoro-5-(trifluoromethyl)phenyl)benzamide Investigative 44221730 C25H20F4N6O 496.5 CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 IC50 = 236000 nM Non binder T63505 Tyrosine-protein kinase ABL1 BJ57YZ N-(4-Methoxybenzyl)benzofuro[2,3-b]pyridin-4-amine Investigative 50908681 C19H16N2O2 304.3 COC1=CC=C(C=C1)CNC2=C3C4=CC=CC=C4OC3=NC=C2 IC50 = 392000 nM Non binder T63505 Tyrosine-protein kinase ABL1 BM5Y0Q 3-(4-Methoxyphenyl)-1H-indeno[1,2-c]pyrazol-4-one Investigative 5092865 C17H12N2O2 276.29 COC1=CC=C(C=C1)C2=NNC3=C2C(=O)C4=CC=CC=C43 IC50 > 725000 nM Non binder