TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T99455 HUMAN fusion protein Bcr-Abl B05AET [4-(2,4-Dichlorobenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone Investigative 122189068 C21H17Cl2N3O2S 446.3 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=NC=CS3)C(=O)C4=C(C=C(C=C4)Cl)Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B0A1SE 4-[5-Bromo-4-[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine Investigative 134155843 C16H18BrCl2N5O3S2 543.3 C1CN(CCN1C2=NC(=NC=C2Br)N3CCOCC3)S(=O)(=O)C4=C(SC(=C4)Cl)Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B0CAK6 5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine Investigative 134157397 C11H16BrClN4O2S 383.69 CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC=C2Br)Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B0VSK1 [4-[6-(4-Tert-butylanilino)pyrimidin-4-yl]phenyl]-[4-(2-chlorobenzoyl)piperazin-1-yl]methanone Investigative 118722089 C32H32ClN5O2 554.1 CC(C)(C)C1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B51ADN 4-[5-Bromo-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidin-2-yl]morpholine Investigative 134135339 C17H23BrN6O4S 487.4 CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC=C3Br)N4CCOCC4 IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B5JN8K [4-[6-(2,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone Investigative 118722091 C29H22Cl2F3N5O2 600.4 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC=C5)C(F)(F)F IC50 = 266000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl B90VOP [4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone Investigative 134150056 C19H20BrClN6O4 511.8 C1CN(CCN1C2=NC(=NC=C2Br)N3CCOCC3)C(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-] IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BA2U4L [4-[6-(3,4-Difluoroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722075 C28H22F3N5O2 517.5 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=CC(=C(C=C4)F)F)C(=O)C5=CC=CC=C5F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BBTE37 5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine Investigative 134150012 C11H14BrClN4O2S 381.68 C1CC1S(=O)(=O)N2CCN(CC2)C3=NC(=NC=C3Br)Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BCR0N8 [4-[3-(Dimethylamino)benzoyl]piperazin-1-yl]-[4-(6-methylpyridin-3-yl)phenyl]methanone Investigative 122189058 C26H28N4O2 428.5 CC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)N(C)C IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BFH01A [4-[6-(3-Chloro-4-methylanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722084 C29H25ClFN5O2 530 CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5F)Cl IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BI80JP [4-[6-(3,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722085 C28H22Cl2FN5O2 550.4 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BK4V7H 4-[4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Investigative 134141669 C19H21BrN6O3S 493.4 C1CN(CCN1C2=NC(=NC=C2Br)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)C#N IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BL2WY8 [4-[6-(2,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722073 C28H22Cl2FN5O2 550.4 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BLW4T3 (4-Pyridin-2-ylphenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone Investigative 122189041 C24H20F3N3O2 439.4 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)C(F)(F)F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BN4D2G [4-[6-(4-Tert-butylanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722070 C32H32FN5O2 537.6 CC(C)(C)C1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5F IC50 = 354000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BP4R7B [4-[6-(4-Fluoroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722083 C28H23F2N5O2 499.5 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5F IC50 = 277000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BS6HG5 [4-(3-Fluorobenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone Investigative 122189064 C21H18FN3O2S 395.5 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=NC=CS3)C(=O)C4=CC(=CC=C4)F IC50 = 444180 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BU5ZA8 [4-(3-Fluorobenzoyl)piperazin-1-yl]-[4-(6-methylpyridin-3-yl)phenyl]methanone Investigative 122189056 C24H22FN3O2 403.4 CC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BUK91J [4-[6-(3-Bromoanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone Investigative 118722071 C28H23BrFN5O2 560.4 C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br)C(=O)C5=CC=CC=C5F IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BX1DC8 [4-(4-Tert-butylbenzoyl)piperazin-1-yl]-[4-(4-methylpyridin-2-yl)phenyl]methanone Investigative 122189053 C28H31N3O2 441.6 CC1=CC(=NC=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C IC50 > 500000 nM Non binder T99455 HUMAN fusion protein Bcr-Abl BZK73E [4-(2-Fluorobenzoyl)piperazin-1-yl]-[4-[6-(3-propan-2-ylanilino)pyrimidin-4-yl]phenyl]methanone Investigative 118722077 C31H30FN5O2 523.6 CC(C)C1=CC(=CC=C1)NC2=NC=NC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5F IC50 > 500000 nM Non binder