TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T46937	P2Y purinoceptor 12	B0D9NV	N-Methyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide	Investigative	15005580	C15H16N4O3	300.31	CNC(=O)CCCOC1=CC2=CC3=C(NC(=O)N3)N=C2C=C1	EC50 = 71600 nM	Poor binder
T46937	P2Y purinoceptor 12	B0N2FX	(S)-5-(4-(Heptyloxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenylpicolinamido)pentanoic acid	Investigative	45267721	C29H38N4O6	538.6	CCCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 = 56000 nM	Poor binder
T46937	P2Y purinoceptor 12	B10HSX	(S)-5-Oxo-4-(6-phenylpicolinamido)-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45272902	C24H28N4O6	468.5	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 = 71000 nM	Poor binder
T46937	P2Y purinoceptor 12	B1X6FB	(S)-4-(2,6-Diphenylisonicotinamido)-5-oxo-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45270266	C30H32N4O6	544.6	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T46937	P2Y purinoceptor 12	B2C9NV	(S)-5-Oxo-4-(4-phenylpicolinamido)-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45268660	C24H28N4O6	468.5	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC=CC(=C2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	B2K7SU	4-(2-(4,6-Diphenylpicolinamido)acetyl)piperazin-1-yl propionate	Investigative	45270267	C27H28N4O4	472.5	CCC(=O)ON1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T46937	P2Y purinoceptor 12	B2QO9T	1-(2,4-Difluorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea	Investigative	68529945	C19H12F5N3O2	409.3	C1=CC(=CC(=C1)OC2=C(C=CC=N2)NC(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F	Ki ~ 70000 nM	Poor binder
T46937	P2Y purinoceptor 12	B2YG4R	1-[2-(2-Tert-butylphenoxy)pyridin-3-yl]-3-(4-tert-butylphenyl)urea	Investigative	11611428	C26H31N3O2	417.5	CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C(N=CC=C2)OC3=CC=CC=C3C(C)(C)C	Ki ~ 70000 nM	Poor binder
T46937	P2Y purinoceptor 12	B38HRC	(S)-5-Oxo-4-(2-phenylpyrimidine-4-carboxamido)-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45271082	C23H27N5O6	469.5	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC(=NC=C2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	B3PXE4	(S)-5-Oxo-4-(picolinamido)-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45269502	C18H24N4O6	392.4	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC=N2	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	B42DVO	5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)-pentanoic acid	Investigative	15005604	C15H15N3O3	285.3	C1=CC2=NC3=C(C=C2C=C1CCCCC(=O)O)NC(=O)N3	EC50 = 63100 nM	Poor binder
T46937	P2Y purinoceptor 12	B50YVL	7-Allyloxy-8-methyl-2-morpholin-4-yl-chromen-4-one	Investigative	15650859	C17H19NO4	301.34	CC1=C(C=CC2=C1OC(=CC2=O)N3CCOCC3)OCC=C	IC50 = 58000 nM	Poor binder
T46937	P2Y purinoceptor 12	B51XOW	(S)-5-(4-(Allyloxycarbonyl)piperazin-1-yl)-4-(4-butoxy-6-phenylpicolinamido)-5-oxopentanoic acid	Investigative	45273811	C29H36N4O7	552.6	CCCCOC1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC=C)C3=CC=CC=C3	IC50 = 61700 nM	Poor binder
T46937	P2Y purinoceptor 12	B58DCX	(S)-5-Oxo-4-(4-phenylpyrimidine-2-carboxamido)-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45267707	C23H27N5O6	469.5	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC=CC(=N2)C3=CC=CC=C3	IC50 = 74000 nM	Poor binder
T46937	P2Y purinoceptor 12	B67XSG	7-[3-(1H-Tetrazol-5-yl)-propoxy]-1,3-dihydro-imidazo[4,5-b]quinolin-2-one	Investigative	15005590	C14H13N7O2	311.3	C1=CC2=NC3=C(C=C2C=C1OCCCC4=NNN=N4)NC(=O)N3	EC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	B7JAF2	2-Morpholino-7-[[2-(4-phenylpiperazino)ethyl]oxy]-8-methyl-4H-1-benzopyran-4-one	Investigative	15650879	C26H31N3O4	449.5	CC1=C(C=CC2=C1OC(=CC2=O)N3CCOCC3)OCCN4CCN(CC4)C5=CC=CC=C5	IC50 ~ 75000 nM	Poor binder
T46937	P2Y purinoceptor 12	B7PV9R	(S)-4-(4-(Benzylamino)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid	Investigative	45268619	C31H35N5O6	573.6	CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)NCC4=CC=CC=C4	IC50 = 81000 nM	Poor binder
T46937	P2Y purinoceptor 12	B8ESW9	Tetrasodium;[chloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl]methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyphosphinate	Investigative	127041008	C27H37ClN10Na4O16P4S2	1073.1	CCCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)([O-])OP(=O)(C(P(=O)([O-])OP(=S)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)NCCC)O)O)Cl)[O-])O)O.[Na+].[Na+].[Na+].[Na+]	IC50 = 156000 nM	Poor binder
T46937	P2Y purinoceptor 12	B8VM1Y	2-Morpholin-4-yl-7-(pyridin-2-ylmethoxy)-chromen-4-one	Investigative	15650887	C19H18N2O4	338.4	C1COCCN1C2=CC(=O)C3=C(O2)C=C(C=C3)OCC4=CC=CC=N4	IC50 = 53000 nM	Poor binder
T46937	P2Y purinoceptor 12	B9DE7H	2-Morpholino-7-(2-naphthylmethoxy)-8-methyl-4H-1-benzopyran-4-one	Investigative	15650860	C25H23NO4	401.5	CC1=C(C=CC2=C1OC(=CC2=O)N3CCOCC3)OCC4=CC5=CC=CC=C5C=C4	IC50 = 65000 nM	Poor binder
T46937	P2Y purinoceptor 12	BAGO65	7-Benzyloxy-3,8-dimethyl-2-morpholin-4-yl-chromen-4-one	Investigative	15650884	C22H23NO4	365.4	CC1=C(C=CC2=C1OC(=C(C2=O)C)N3CCOCC3)OCC4=CC=CC=C4	IC50 ~ 75000 nM	Poor binder
T46937	P2Y purinoceptor 12	BBC16Z	(3,8-Dimethyl-2-morpholin-4-yl-4-oxo-4H-chromen-7-yloxy)-acetic acid methyl ester	Investigative	15650886	C18H21NO6	347.4	CC1=C(C=CC2=C1OC(=C(C2=O)C)N3CCOCC3)OCC(=O)OC	IC50 = 59000 nM	Poor binder
T46937	P2Y purinoceptor 12	BDR68N	4-(2-(6-Phenylpicolinamido)acetyl)piperazin-1-yl propionate	Investigative	45271977	C21H24N4O4	396.4	CCC(=O)ON1CCN(CC1)C(=O)CNC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BE6AD8	5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-pentanoic acid	Investigative	14280994	C15H15N3O4	301.3	C1=CC2=NC3=C(C=C2C=C1OCCCCC(=O)O)NC(=O)N3	EC50 ~ 106000 nM	Poor binder
T46937	P2Y purinoceptor 12	BGA73P	(S)-4-(4-(4-(Methoxymethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid	Investigative	44631970	C34H47N5O7	637.8	CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)N4CCC(CC4)COC	IC50 ~ 50000 nM	Poor binder
T46937	P2Y purinoceptor 12	BHX94K	1-[2-(2-Tert-butylphenyl)sulfanylpyridin-3-yl]-3-(4-methylphenyl)urea	Investigative	68530100	C23H25N3OS	391.5	CC1=CC=C(C=C1)NC(=O)NC2=C(N=CC=C2)SC3=CC=CC=C3C(C)(C)C	Ki ~ 70000 nM	Poor binder
T46937	P2Y purinoceptor 12	BJV43R	7-(3-Benzenesulfonyl-propoxy)-1-methyl-1,3-dihydro-imidazo[4,5-b]quinolin-2-one	Investigative	14281036	C20H19N3O4S	397.4	CN1C2=C(NC1=O)N=C3C=CC(=CC3=C2)OCCCS(=O)(=O)C4=CC=CC=C4	EC50 = 50300 nM	Poor binder
T46937	P2Y purinoceptor 12	BK3LG1	7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin-4-yl-8-propyl-chromen-4-one	Investigative	15650898	C23H33N3O4	415.5	CCCC1=C(C=CC2=C1OC(=CC2=O)N3CCOCC3)OCCN4CCN(CC4)C	IC50 = 69000 nM	Poor binder
T46937	P2Y purinoceptor 12	BK7BV9	1-(4-Tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)pyridin-3-yl]urea	Investigative	11560464	C25H29N3O2	403.5	CC(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C	Ki ~ 70000 nM	Poor binder
T46937	P2Y purinoceptor 12	BM0PV4	1,3-Dihydro-7-[4-(1H-tetrazol-5-yl)butoxy]-2H-imidazo[4,5-b]quinolin-2-one	Investigative	15005592	C15H15N7O2	325.33	C1=CC2=NC3=C(C=C2C=C1OCCCCC4=NNN=N4)NC(=O)N3	EC50 = 51000 nM	Poor binder
T46937	P2Y purinoceptor 12	BM3YJ8	(S)-4-(4,6-Diphenylpicolinamido)-5-oxo-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid	Investigative	45271162	C30H32N4O6	544.6	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4	IC50 = 76000 nM	Poor binder
T46937	P2Y purinoceptor 12	BN1OK6	(S)-4-(4,6-Diphenylpicolinamido)-5-oxo-5-(4-m-tolylpiperazin-1-yl)pentanoic acid	Investigative	45270274	C34H34N4O4	562.7	CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CCC(=O)O)NC(=O)C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BN6P1Q	(S)-5-(4-((2-Cyclopentylethoxy)carbonyl)piperazin-1-yl)-4-(4-(4-hydroxypiperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid	Investigative	45272054	C34H45N5O7	635.7	C1CCC(C1)CCOC(=O)N2CCN(CC2)C(=O)[C@H](CCC(=O)O)NC(=O)C3=CC(=CC(=N3)C4=CC=CC=C4)N5CCC(CC5)O	IC50 = 57800 nM	Poor binder
T46937	P2Y purinoceptor 12	BP5EJ3	(S)-5-(4-(Methoxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenylpicolinamido)pentanoic acid	Investigative	45271978	C23H26N4O6	454.5	COC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BQ3M9G	(S)-4-(4-(Diethylamino)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid	Investigative	45269461	C28H37N5O6	539.6	CCN(CC)C1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3	IC50 = 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BQ3YE7	(4S)-5-Oxo-4-[(3-phenylbenzoyl)amino]-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid	Investigative	45272074	C25H29N3O6	467.5	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=C2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BQ6PE3	(S)-5-Oxo-4-(6-phenylpicolinamido)-5-(4-m-tolylpiperazin-1-yl)pentanoic acid	Investigative	45267712	C28H30N4O4	486.6	CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CCC(=O)O)NC(=O)C3=CC=CC(=N3)C4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BRY8O7	[(3Ar,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(2-phenylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate	Investigative	24799835	C19H18N5O7P	459.3	C1=CC=C(C=C1)C#CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)O	IC50 = 57070 nM	Poor binder
T46937	P2Y purinoceptor 12	BS15PU	3,8-Dimethyl-2-morpholin-4-yl-7-(naphthalen-1-ylmethoxy)-chromen-4-one	Investigative	15650885	C26H25NO4	415.5	CC1=C(C=CC2=C1OC(=C(C2=O)C)N3CCOCC3)OCC4=CC=CC5=CC=CC=C54	IC50 ~ 75000 nM	Poor binder
T46937	P2Y purinoceptor 12	BS6CK8	(S)-5-Oxo-4-(6-phenylpicolinamido)-5-(4-(propoxycarbonyl)piperazin-1-yl)pentanoic acid	Investigative	45271092	C25H30N4O6	482.5	CCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 = 62000 nM	Poor binder
T46937	P2Y purinoceptor 12	BS8R1P	4-(2-Oxo-1,2,3,5-tetrahydro-imidazo[2,1-b]quinazolin-7-yloxy)-butyric acid	Investigative	135838395	C14H15N3O4	289.29	C1C2=C(C=CC(=C2)OCCCC(=O)O)N=C3N1CC(=O)N3	EC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BST46Y	4-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyric acid	Investigative	14280991	C15H15N3O4	301.3	CN1C2=C(NC1=O)N=C3C=CC(=CC3=C2)OCCCC(=O)O	EC50 ~ 106000 nM	Poor binder
T46937	P2Y purinoceptor 12	BTI0S5	1-[2-(2-Propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea	Investigative	11510273	C22H20F3N3O3	431.4	CC(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F	Ki ~ 70000 nM	Poor binder
T46937	P2Y purinoceptor 12	BTJ0I2	Methyl 4-(1,3-dimethyl-2-oxoimidazo[4,5-b]quinolin-7-yl)oxybutanoate	Investigative	15005568	C17H19N3O4	329.35	CN1C2=C(N=C3C=CC(=CC3=C2)OCCCC(=O)OC)N(C1=O)C	EC50 ~ 87500 nM	Poor binder
T46937	P2Y purinoceptor 12	BV65TL	(S)-5-(4-(Octyloxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenylpicolinamido)pentanoic acid	Investigative	45268593	C30H40N4O6	552.7	CCCCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BWCF13	4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyric acid	Investigative	15005570	C16H17N3O4	315.32	CN1C2=C(N=C3C=CC(=CC3=C2)OCCCC(=O)O)N(C1=O)C	EC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BZC56V	(4S)-4-[(3,5-Diphenylbenzoyl)amino]-5-oxo-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid	Investigative	45267776	C31H33N3O6	543.6	CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	BZF64D	5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-pentanoic acid	Investigative	14280995	C16H17N3O4	315.32	CN1C2=C(NC1=O)N=C3C=CC(=CC3=C2)OCCCCC(=O)O	EC50 ~ 100000 nM	Poor binder
T46937	P2Y purinoceptor 12	D07MTB	PMID:23368907C16 	Investigative	11510579	C23H22F3N3O3	445.4	CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F	Ki ~ 70000 nM	Poor binder