TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T82083	P2Y purinoceptor 4	D0H2UB	Suramin	Phase 1	5361	C51H40N6O23S6	1297.3	CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B0QIS4	((2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-(methylamino)-4-oxopyrimidin-1(4H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate	Investigative	52952496	C10H16N3O8P	337.22	CNC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B1SAG7	2-[(4-Amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-5-fluorobenzoic acid	Investigative	45141594	C21H13FN2O7S	456.4	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)F)C(=O)O)S(=O)(=O)O)N	IC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B2M1IU	1-(beta-D-Ribofuranosyl)-2-thio-uracil-5'-phosphate	Investigative	3081495	C9H13N2O8PS	340.25	C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B2R5KC	5'-Uridylic acid, 3-(2-oxo-2-phenylethyl)-	Investigative	11993885	C17H19N2O10P	442.3	C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B2SEM0	6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-diphosphate	Investigative	11994013	C12H20N2O12P2	446.24	CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B4V3GF	2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-diphosphate	Investigative	52952283	C17H22N2O11P2S	524.4	C1=CC=C(C=C1)CCSC2=NC(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B5MI8N	2-[(4-Amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-fluorobenzoic acid	Investigative	137648293	C22H15FN2O4	390.4	CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=C(C=C(C=C4)F)C(=O)O	IC50 = 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B6MV9K	6-Methyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-diphosphate	Investigative	11993883	C10H16N2O12P2	418.19	CC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B71WBY	Dichloro(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)methylphosphonic acid	Investigative	11534074	C10H15Cl2N2O14P3	551.06	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B7T3BW	2-Methoxy-UMP	Investigative	52952495	C10H15N2O9P	338.21	COC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B8DQ4J	2-Methylamino-1-beta-D-ribofuranosylpyrimidine-4-one-5''-diphosphate	Investigative	52952393	C10H17N3O11P2	417.2	CNC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B8HYJ4	[[(2R,3R,4R,5R)-5-(2,4-Dioxo-3-phenacylpyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	Investigative	11993889	C17H22N2O19P4	682.3	C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B96QSU	2-Amino-1-beta-D-ribofuranosylpyrimidine-4-one-5''-diphosphate	Investigative	52952392	C9H15N3O11P2	403.18	C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B98FSH	6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-triphosphate	Investigative	11995643	C12H21N2O15P3	526.22	CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	B9AI7N	6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-monophosphate	Investigative	11993887	C12H19N2O9P	366.26	CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BAG3D9	5-Bromouridine 5'-monophosphate	Investigative	150973	C9H12BrN2O9P	403.08	C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BAJ0O1	[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate	Investigative	5311303	C11H17N5O9P2	425.23	CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BCAH82	2-Benzylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate	Investigative	52952397	C16H19N2O8PS	430.4	C1=CC=C(C=C1)CSC2=NC(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BD4HU2	[(1R,2R,4S,5S)-4-[2-Chloro-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate	Investigative	76324375	C13H18ClN5O8P2	469.71	CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3C[C@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BDEA98	[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate	Investigative	44415751	C10H16N2O12P2	418.19	CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BDJL74	Sodium;1-amino-4-(2-carboxy-5-fluoroanilino)-9,10-dioxoanthracene-2-sulfonate	Investigative	45141778	C21H12FN2NaO7S	478.4	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=CC(=C4)F)C(=O)O)S(=O)(=O)[O-])N.[Na+]	IC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BDXJ06	Sodium;1-amino-4-(4-bromo-2-carboxyanilino)-9,10-dioxoanthracene-2-sulfonate	Investigative	46228816	C21H12BrN2NaO7S	539.3	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)Br)C(=O)O)S(=O)(=O)[O-])N.[Na+]	IC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BEJ6C5	2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate	Investigative	52952494	C17H21N2O8PS	444.4	C1=CC=C(C=C1)CCSC2=NC(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BHDF10	[[(2S,3R,4S,5S)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate	Investigative	44457390	C18H25N4O20P3	710.3	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=CC(=O)NC4=O)O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BHK63Q	[[(3Ar,4R,6R,6aR)-4-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	Investigative	11994005	C12H20N2O17P4	588.19	CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O3)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BIH28N	N(3)-Methyluridine 5'-monophosphate	Investigative	44602426	C10H15N2O9P	338.21	CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BMUY32	6-Methyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-triphosphate	Investigative	11994009	C10H17N2O15P3	498.17	CC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BN23HX	Sodium;1-amino-4-(2-carboxy-3-fluoroanilino)-9,10-dioxoanthracene-2-sulfonate	Investigative	137651974	C21H12FN2NaO7S	478.4	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C(=CC=C4)F)C(=O)O)S(=O)(=O)[O-])N.[Na+]	IC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BP15EI	Tetrasodium;4-[[3-formyl-4-hydroxy-5-methyl-2-(phosphonatooxymethyl)phenyl]diazenyl]benzene-1,3-disulfonate	Investigative	136169604	C15H11N2Na4O12PS2	598.3	CC1=CC(=C(C(=C1O)C=O)COP(=O)([O-])[O-])N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]	IC50 = 73000 nM	Poor binder
T82083	P2Y purinoceptor 4	BPV58Q	1-beta-D-Ribofuranosyl(3H)pyrimidine-2,4,6-trione 5''-triphosphate	Investigative	11995641	C9H15N2O16P3	500.14	C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BSP1C0	2-Methylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate	Investigative	52952394	C10H15N2O8PS	354.28	CSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BT7S5N	4-Thiouridine-5'-monophosphate	Investigative	16655024	C9H13N2O8PS	340.25	C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BW5RX8	6-Methyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-monophosphate	Investigative	44417704	C10H15N2O9P	338.21	CC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BX67IT	[[[(2R,3S,4R,5R)-5-(5-Bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid	Investigative	52952183	C15H19BrN3O14P3	638.15	C1=CC=C(C=C1)NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)Br)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BX9EB4	2-Propylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate	Investigative	52952396	C12H19N2O8PS	382.33	CCCSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	BZF64O	(((((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)difluoromethylphosphonic acid	Investigative	11606036	C10H15F2N2O14P3	518.15	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	D0DZ1K	PSB-0952	Investigative	45141593	C21H12FN2NaO7S	478.4	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)F)C(=O)O)S(=O)(=O)[O-])N.[Na+]	IC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	D0P0EP	6-Hydroxyuridine-5'-Phosphate	Investigative	161647	C9H13N2O10P	340.18	C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	D0T4WF	3-phenacyl-UDP	Investigative	11994011	C17H20N2O13P2	522.299	C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	EC50 ~ 100000 nM	Poor binder
T82083	P2Y purinoceptor 4	D0UC4G	PSB-716	Investigative	25090818	C21H15N2NaO6S	446.4	COC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]	IC50 = 50000 nM	Poor binder