TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T78198 Purine nucleoside phosphorylase D06IAR Adenosine Approved 60961 C10H13N5O4 267.24 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N Ki = 2000000 nM Non binder T78198 Purine nucleoside phosphorylase B2H6ZK 1,2-Dibenzylbenzimidazole-4,7-dione Investigative 493154 C21H16N2O2 328.4 C1=CC=C(C=C1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)C=CC3=O Ki = 350000 nM Non binder T78198 Purine nucleoside phosphorylase B3EU0A 1-Benzylbenzimidazole-4,7-dione Investigative 493146 C14H10N2O2 238.24 C1=CC=C(C=C1)CN2C=NC3=C2C(=O)C=CC3=O Ki = 580000 nM Non binder T78198 Purine nucleoside phosphorylase B3FYQ4 [(2R,3S,4R,5S)-3,4-Dihydroxy-5-(7-oxo-1,7a-dihydropyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate Investigative 90663690 C17H15FN4O8S 454.4 C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=NNC4C3=NC=NC4=O)O)O)S(=O)(=O)F Ki > 300000 nM Non binder T78198 Purine nucleoside phosphorylase B4Q6ZO {Hydroxy-[5-(2-hydroxy-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphinoylmethyl}-phosphonic acid Investigative 44264323 C11H18N4O7P2 380.23 C1=NC2=C(N1CCCCCP(=O)(CP(=O)(O)O)O)NC(=O)NC2=O Ki = 270000 nM Non binder T78198 Purine nucleoside phosphorylase B5BFP8 4,7-Benzimidazoledione Investigative 260064 C7H4N2O2 148.12 C1=CC(=O)C2=C(C1=O)NC=N2 Ki = 550000 nM Non binder T78198 Purine nucleoside phosphorylase B6N0QB 1-[(4-Fluorophenyl)methyl]benzimidazole-4,7-dione Investigative 493147 C14H9FN2O2 256.23 C1=CC(=CC=C1CN2C=NC3=C2C(=O)C=CC3=O)F Ki = 780000 nM Non binder T78198 Purine nucleoside phosphorylase B7T0IA 2,5-Diaminothiazolo[4,5-d]pyrimidin-7(6H)-one Investigative 135554446 C5H5N5OS 183.19 C12=C(N=C(NC1=O)N)N=C(S2)N IC50 ~ 330000 nM Non binder T78198 Purine nucleoside phosphorylase B8V4XJ 1-[(3-Fluorophenyl)methyl]benzimidazole-4,7-dione Investigative 493148 C14H9FN2O2 256.23 C1=CC(=CC(=C1)F)CN2C=NC3=C2C(=O)C=CC3=O Ki = 520000 nM Non binder T78198 Purine nucleoside phosphorylase B9VAB2 2-Aminoformycin Investigative 126915 C10H14N6O4 282.26 C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=NC(=N3)N)N)O)O)O Ki = 1680000 nM Non binder T78198 Purine nucleoside phosphorylase BA15JL (2S,3S,4R,5S)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Investigative 46233579 C11H14N4O4 266.25 C1=CN(C2=NC=NC(=C21)N)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O IC50 = 300000 nM Non binder T78198 Purine nucleoside phosphorylase BB9O7U 2-Amino-7-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-pyrrolo[2,3-d]pyrimidine-4(7H)-thione Investigative 46233580 C11H14N4O4S 298.32 C1=CN(C2=C1C(=S)N=C(N2)N)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O IC50 = 315000 nM Non binder T78198 Purine nucleoside phosphorylase BD42XJ 3-Deazaguanosine Investigative 124316 C11H14N4O5 282.25 C1=C(NC(=O)C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IC50 > 300000 nM Non binder T78198 Purine nucleoside phosphorylase BJ17WM 1-Benzyl-2-methyl-benzimidazole-4,7-dione Investigative 493153 C15H12N2O2 252.27 CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)C=CC2=O Ki = 300000 nM Non binder T78198 Purine nucleoside phosphorylase BOQ45E Allopurinol riboside Investigative 135407110 C10H12N4O5 268.23 C1=NN(C2=C1C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Ki = 1800000 nM Non binder T78198 Purine nucleoside phosphorylase BS15HA 3-((2R,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one Investigative 135537118 C10H12N4O5 268.23 C1=NC2=C(NN=C2C(=O)N1)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O IC50 = 300000 nM Non binder T78198 Purine nucleoside phosphorylase BSA6O2 1-Butylbenzimidazole-4,7-dione Investigative 493152 C11H12N2O2 204.22 CCCCN1C=NC2=C1C(=O)C=CC2=O Ki = 560000 nM Non binder T78198 Purine nucleoside phosphorylase BTD9O8 1-[(2-Fluorophenyl)methyl]benzimidazole-4,7-dione Investigative 493149 C14H9FN2O2 256.23 C1=CC=C(C(=C1)CN2C=NC3=C2C(=O)C=CC3=O)F Ki = 1480000 nM Non binder T78198 Purine nucleoside phosphorylase BTYE54 1-Methylbenzimidazole-4,7-dione Investigative 493151 C8H6N2O2 162.15 CN1C=NC2=C1C(=O)C=CC2=O Ki = 2210000 nM Non binder T78198 Purine nucleoside phosphorylase BVA1U5 [[4-[[2-Amino-6-oxo-1H-purin-9(6H)-yl]methyl]phenoxy]methyl]phosphonic acid Investigative 135678234 C13H14N5O5P 351.25 C1=CC(=CC=C1CN2C=NC3=C2N=C(NC3=O)N)OCP(=O)(O)O Ki = 270000 nM Non binder T78198 Purine nucleoside phosphorylase D04AWP Guanosine-5'-Monophosphate Investigative 135398631 C10H14N5O8P 363.22 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N Ki = 1500000 nM Non binder