TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T40812 Poly [ADP-ribose] polymerase 2 B0MK9O 4-(4-Carbamoylphenoxy)benzamide Investigative 236501 C14H12N2O3 256.26 C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)N IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B0R7CZ IWR-1-endo Investigative 44483163 C25H19N3O3 409.4 C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B0UEY5 Benzyl N-[[4-(8-methyl-4-oxo-1H-quinazolin-2-yl)phenyl]methyl]carbamate Investigative 136215774 C24H21N3O3 399.4 CC1=C2C(=CC=C1)C(=O)NC(=N2)C3=CC=C(C=C3)CNC(=O)OCC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B3W7HN 2-Amino-5-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]pyridine-3-carbonitrile Investigative 72724967 C23H26N4O2 390.5 CC1([C@@H](N(C(=O)O1)C2CCC(CC2)C3=CC(=C(N=C3)N)C#N)C4=CC=CC=C4)C IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B5VZ2E N-[(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide Investigative 136219322 C22H23N3O3S 409.5 C1COCC2=C1N=C(NC2=O)CN(CC3=CC=CS3)C(=O)CCC4=CC=CC=C4 IC50 = 56400 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B82KFB 4-(4-Formyl-phenoxy)-benzamide Investigative 28825277 C14H11NO3 241.24 C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C(=O)N IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B84PNF N-[4-[(4S)-5,5-Dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide Investigative 71681176 C26H27FN4O3 462.5 CC1([C@@H](N(C(=O)O1)C2CCC(CC2)NC(=O)C3=C4C(=NC=C3)C=C(C=N4)F)C5=CC=CC=C5)C IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 B96SDF 4-Methoxybenzamide Investigative 76959 C8H9NO2 151.16 COC1=CC=C(C=C1)C(=O)N IC50 = 77000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BD1EV4 1,2-Dihydro-2-(4-isopropylphenyl)-4(3H)-quinazolinone Investigative 4163640 C17H18N2O 266.34 CC(C)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2 IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BEM90P N-[3-Chloranyl-4-[[4-(4-Methoxyphenyl)oxan-4-Yl]methylcarbamoyl]phenyl]furan-2-Carboxamide Investigative 89649815 C25H25ClN2O5 468.9 COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CO4)Cl IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BEW1B3 4-[(2-Fluorophenyl)methoxy]benzamide Investigative 8607850 C14H12FNO2 245.25 C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)N)F IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BG25KO (4s)-3-{trans-4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]cyclohexyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One Investigative 71660496 C26H29N5O2 443.5 CC1([C@@H](N(C(=O)O1)C2CCC(CC2)C3=CC(=C(N=C3)N)C4=NC=CC=N4)C5=CC=CC=C5)C IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BG75NL 2-(4-Tert-Butylphenyl)-2,3-dihydroquinazoline-4(1H)-one Investigative 4826644 C18H20N2O 280.4 CC(C)(C)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2 IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BJER35 2-(4-Bromophenyl)-3,4-Dihydroquinazolin-4-One Investigative 135421564 C14H9BrN2O 301.14 C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=C(C=C3)Br IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BS84KD 4-(4-Carbamoylphenoxy)benzoic acid Investigative 28825295 C14H11NO4 257.24 C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)O IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BSL3C5 1-[3-[4-(2-Chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile Investigative 131801402 C24H17ClN8O 468.9 C1C(CC1N2C3=C(C=C(C=C3)C#N)NC2=O)C4=NN=C(N4C5=CC=CC=C5Cl)C6=NC=NC=C6 IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BW6IR7 (4s)-3-{4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]phenyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One Investigative 72193935 C26H23N5O2 437.5 CC1([C@@H](N(C(=O)O1)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)C4=NC=CC=N4)C5=CC=CC=C5)C IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BX6NZ3 4-[(3Ar,4r,7s,7as)-1,3-Dioxooctahydro-2h-4,7-Methanoisoindol-2-Yl]-N-(Quinolin-8-Yl)benzamide Investigative 56587957 C25H21N3O3 411.5 C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 IC50 ~ 100000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BY3QL6 1-[4-[(4S)-5,5-Dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-4-fluoro-2-oxo-3H-benzimidazole-5-carbonitrile Investigative 71681330 C25H25FN4O3 448.5 CC1([C@@H](N(C(=O)O1)C2CCC(CC2)N3C4=C(C(=C(C=C4)C#N)F)NC3=O)C5=CC=CC=C5)C IC50 ~ 170000 nM Poor binder T40812 Poly [ADP-ribose] polymerase 2 BZQ31Y N-{4-[(2-Chlorophenyl)(Pyrimidin-4-Yl)carbamoyl]phenyl}-4-Methoxybenzamide Investigative 105539834 C25H19ClN4O3 458.9 COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N(C3=NC=NC=C3)C4=CC=CC=C4Cl IC50 ~ 100000 nM Poor binder