TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T97155 Serine/threonine-protein kinase ATR D09SFV LY294002 Terminated 3973 C19H17NO3 307.3 C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T97155 Serine/threonine-protein kinase ATR 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 T97155 Serine/threonine-protein kinase ATR B4VM0G Tert-butyl 4-[6-[4-(2-fluoroethylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Investigative 44605429 C28H37FN8O4 568.6 CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NCCF)N5CCOCC5 IC50 ~ 50000 nM Poor binder T97155 Serine/threonine-protein kinase ATR BK0SX5 Isopropyl 4-(6-{4-[(cyclopropylcarbamoyl)amino]phenyl}-4-morpholin-4-yl-1Hpyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Investigative 44605427 C28H36N8O4 548.6 CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NC5CC5)N6CCOCC6 IC50 ~ 50000 nM Poor binder T97155 Serine/threonine-protein kinase ATR BLER53 Tert-butyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Investigative 44605430 C29H38N8O4 562.7 CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NC5CC5)N6CCOCC6 IC50 ~ 50000 nM Poor binder T97155 Serine/threonine-protein kinase ATR BS58IK Isopropyl 4-[6-(4-{[(2-fluoroethyl)carbamoyl]amino}phenyl)-4-morpholin-4-yl-1Hpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Investigative 44605426 C27H35FN8O4 554.6 CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NCCF)N5CCOCC5 IC50 ~ 50000 nM Poor binder T97155 Serine/threonine-protein kinase ATR D05USL KU-55933 Investigative 5278396 C21H17NO3S2 395.5 C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4 IC50 ~ 100000 nM Poor binder T97155 Serine/threonine-protein kinase ATR D0T0BY 2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one Investigative 10039361 C16H15N3O2 281.31 C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2 IC50 ~ 100000 nM Poor binder T97155 Serine/threonine-protein kinase ATR D0W1ST Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate Investigative 9860529 C17H15NO3 281.3 C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3 IC50 ~ 100000 nM Poor binder T97155 Serine/threonine-protein kinase ATR D0X7TB 2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one Investigative 10017389 C18H17NO3 295.3 CC1CN(CCO1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3 IC50 ~ 100000 nM Poor binder T97155 Serine/threonine-protein kinase ATR D0Y3OO NU-7432 Investigative 11327430 C25H19NO3S 413.5 C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56 IC50 ~ 100000 nM Poor binder