TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T40954	Xanthine dehydrogenase/oxidase	D06NVJ	Nicotinamide	Approved	938	C6H5NO2	123.11	C1=CC(=CN=C1)C(=O)O	IC50 = 518230 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D0L4FS	Genistein	Phase 2	5280961	C15H10O5	270.24	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O	IC50 = 232500 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D00VZF	Merbarone	Discontinued in Phase 2	4990817	C11H9N3O3S	263.27	C1=CC=C(C=C1)NC(=O)C2C(=O)NC(=S)NC2=O	IC50 = 274000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B0ABX9	(5-Ethyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	Investigative	71116359	C22H25N3O2	363.5	CCC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B1DXL8	Glycitein	Investigative	5317750	C16H12O5	284.26	COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O	IC50 = 682600 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B1FNU6	(6-Methoxy-1H-benzimidazol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	Investigative	71116642	C20H22N4O3	366.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC4=C(N3)C=C(C=C4)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B2ELW1	2-(4-Acetylanilino)-1-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone	Investigative	71116205	C22H27N3O3	381.5	CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)CNC3=CC=C(C=C3)C(=O)C	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B2HSF6	(6-Fluoro-1H-benzimidazol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	Investigative	71116322	C19H19FN4O2	354.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC4=C(N3)C=C(C=C4)F	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B34MCF	2-Amino-6-chloropurine	Investigative	5360349	C5H4ClN5	169.57	C1=NC2=C(N1)C(=NC(=N2)N)Cl	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B38DOA	Propyl gallate	Investigative	4947	C10H12O5	212.2	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O	IC50 = 628000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B3U7YV	2-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-1H-indole-5-carboxamide	Investigative	71473870	C21H22N4O3	378.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=O)N	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B51GRB	1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(4-propan-2-ylanilino)ethanone	Investigative	71116531	C22H29N3O2	367.5	CC(C)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B5K1IQ	2-(3,4-Difluoroanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone	Investigative	71116271	C19H21F2N3O2	361.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC3=CC(=C(C=C3)F)F	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B5LT0S	2-(4-Acetylanilino)-1-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanone	Investigative	90276083	C21H22F3N3O3	421.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC(F)(F)F	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B5ODY9	2-(4-Acetylanilino)-1-[4-(2-aminophenyl)piperazin-1-yl]ethanone	Investigative	24178261	C20H24N4O2	352.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=CC=C3N	IC50 = 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B5R2FN	1H-Indol-2-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	Investigative	9271969	C20H21N3O2	335.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B5S8QK	(5,6-Dimethoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	Investigative	71116244	C22H25N3O4	395.5	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(C=C4N3)OC)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B63VSG	1-[2-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-1H-indol-5-yl]ethanone	Investigative	71116385	C22H23N3O3	377.4	CC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B6ZA3P	Trolox	Investigative	40634	C14H18O4	250.29	CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C	IC50 > 1000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B7LJF0	2-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-1H-indole-5-carboxylic acid	Investigative	71473922	C21H21N3O4	379.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=O)O	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B7O3MZ	1-[2-[4-(4-Ethoxyphenyl)piperazine-1-carbonyl]-1H-indol-5-yl]ethanone	Investigative	71473923	C23H25N3O3	391.5	CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=O)C	IC50 = 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B7UEF0	Monocerin	Investigative	92267	C16H20O6	308.33	CCC[C@H]1C[C@@H]2[C@H](O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC	IC50 > 648000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	B80OJF	2-(4-Acetylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone	Investigative	18096451	C21H25N3O3	367.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BADW87	2-[4-(4-Propan-2-yloxyphenyl)piperazine-1-carbonyl]-3H-benzimidazole-5-carboxamide	Investigative	90276063	C22H25N5O3	407.5	CC(C)OC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC4=C(N3)C=C(C=C4)C(=O)N	IC50 = 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BBSZ27	Daphnetin	Investigative	5280569	C9H6O4	178.14	C1=CC(=C(C2=C1C=CC(=O)O2)O)O	IC50 = 390000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BCH0X9	(5-Hydroxy-1H-indol-2-yl)-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]methanone	Investigative	123685165	C20H18F3N3O3	405.4	C1CN(CCN1C2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC4=C(N3)C=CC(=C4)O	IC50 = 200000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BD0J7P	2,6-Diaminopurine	Investigative	30976	C5H6N6	150.14	C1=NC2=NC(=NC(=C2N1)N)N	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BEV3J8	(3R,4R)-4,8-Dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one	Investigative	24896701	C16H22O7	326.34	CCC[C@H](C[C@@H]1[C@@H](C2=CC(=C(C(=C2C(=O)O1)O)OC)OC)O)O	IC50 > 612000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BFI0L7	Fusarentin 6-Methyl Ether	Investigative	53323677	C15H20O6	296.31	CCC[C@@H](C[C@@H]1CC2=CC(=C(C(=C2C(=O)O1)O)O)OC)O	IC50 > 675000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BFJ5X6	5,6-Dimethylbenzimidazole	Investigative	675	C9H10N2	146.19	CC1=CC2=C(C=C1C)N=CN2	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BGW4X7	5-Pyrimidinecarboxamide, hexahydro-2,4,6-trioxo-N-phenyl-	Investigative	100782	C11H9N3O4	247.21	C1=CC=C(C=C1)NC(=O)C2=C(NC(=O)NC2=O)O	IC50 > 300000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BK1OM0	(2S,3Ar,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one	Investigative	51354813	C15H18O6	294.3	CCC[C@H]1C[C@@H]2[C@H](O1)C3=CC(=C(C(=C3C(=O)O2)O)O)OC	IC50 > 679000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BK1Q4Z	2-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide	Investigative	71116278	C22H24N4O3	392.5	CNC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BK7H4B	6,7,4'-Trihydroxyisoflavone	Investigative	5284649	C15H10O5	270.24	C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O	IC50 > 1000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BKMS06	2-(4-Acetylanilino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone	Investigative	24178263	C20H23N3O3	353.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=CC=C3O	IC50 = 200000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BL4T6F	7-Acetyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-4-one	Investigative	71116153	C23H23N3O4	405.4	CC(=O)C1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC	IC50 = 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BLM9I0	Colletotrialide, (+)-	Investigative	50994839	C16H20O6	308.33	CCCC(=O)CC[C@@H]1C2=CC(=C(C(=C2C(=O)O1)O)OC)OC	IC50 > 648000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BMO2U4	5-Methylbenzimidazole	Investigative	11979	C8H8N2	132.16	CC1=CC2=C(C=C1)N=CN2	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BNQ78I	1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylanilino)ethanone	Investigative	90274779	C35H45N5O4	599.8	CC(C)C1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BQ1P3D	2-(4-Acetylanilino)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone	Investigative	71116154	C20H23N3O3	353.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)O	IC50 = 200000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BR9Z4Q	Butylhydroxyanisole	Investigative	24667	C22H32O4	360.5	CC(C)(C)C1=C(C=CC(=C1)O)OC.CC(C)(C)C1=C(C=CC(=C1)OC)O	IC50 = 591000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BRT6W5	Fusarentin 6,7-dimethyl ether	Investigative	11758702	C16H22O6	310.34	CCC[C@@H](C[C@@H]1CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC)O	IC50 > 644000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BS8JO5	2-Aminopurine	Investigative	9955	C5H5N5	135.13	C1=C2C(=NC(=N1)N)N=CN2	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BSU2Q4	2-(4-Acetylanilino)-1-[4-(4-aminophenyl)piperazin-1-yl]ethanone	Investigative	90276060	C20H24N4O2	352.4	CC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)N	IC50 = 200000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BSW76L	2-Amino-6-methoxypurine	Investigative	65275	C6H7N5O	165.15	COC1=NC(=NC2=C1NC=N2)N	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BUB67J	Methyl 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-indole-5-carboxylate	Investigative	71473869	C22H23N3O4	393.4	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=O)OC	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BWFV42	4-Methylesculetin	Investigative	5319502	C10H8O4	192.17	CC1=CC(=O)OC2=CC(=C(C=C12)O)O	IC50 = 246000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BXC13G	Secoisolariciresinol	Investigative	65373	C20H26O6	362.4	COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O	IC50 = 213000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BY28HX	2-(4-Acetylanilino)-1-[4-(4-ethoxyphenyl)piperazin-1-yl]ethanone	Investigative	71116201	C22H27N3O3	381.5	CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC3=CC=C(C=C3)C(=O)C	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	BYS26T	Methyl 1-(5-fluoro-1H-indole-2-carbonyl)-4-(4-methoxyphenyl)piperazine-2-carboxylate	Investigative	129626256	C22H22FN3O4	411.4	COC1=CC=C(C=C1)N2CCN(C(C2)C(=O)OC)C(=O)C3=CC4=C(N3)C=CC(=C4)F	IC50 > 20000000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D02JEZ	7-hydroxycoumarin	Investigative	5281426	C9H6O3	162.14	C1=CC(=CC2=C1C=CC(=O)O2)O	IC50 = 236000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D09FDZ	7,8,4'-trihydroxyisoflavone	Investigative	5466139	C15H10O5	270.24	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O	IC50 > 1000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D0F1AS	1-METHYLXANTHINE	Investigative	80220	C6H6N4O2	166.14	CN1C(=O)C2=C(NC1=O)N=CN2	IC50 > 200000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D0J5DN	7,3',4'-trihydroxyisoflavone	Investigative	5284648	C15H10O5	270.24	C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O	IC50 > 1000000 nM	Non binder
T40954	Xanthine dehydrogenase/oxidase	D0SY2M	daidzein	Investigative	5281708	C15H10O4	254.24	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O	IC50 = 429800 nM	Non binder