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	D02ZXM	Thioguanine	Approved	2723601	C5H5N5S	167.19	C1=NC2=C(N1)C(=S)N=C(N2)N	IC50 = 92420 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0E9CD	Isovanillin	Approved	12127	C8H8O3	152.15	COC1=C(C=C(C=C1)C=O)O	IC50 ~ 50000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D04PBH	CONTIGOSIDE B	Phase 2/3	5280804	C21H20O12	464.4	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	IC50 ~ 50000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D05TPI	EPICATECHIN	Phase 2	72276	C15H14O6	290.27	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B0D9HJ	Methyl (2R)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate	Investigative	137655674	C30H26N2O7	526.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C=C(O2)C5=CC(=C(C=C5)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B0OZT5	4-[4-Cyano-5-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pyrazol-1-yl]benzoic acid	Investigative	24873857	C25H26N4O11	558.5	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC2=C(C=NN2C3=CC=C(C=C3)C(=O)O)C#N)OC(=O)C)OC(=O)C)OC(=O)C	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B0U6RE	2-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyacetic acid	Investigative	122182623	C17H12O7	328.27	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B0XL2P	[(2R,3S,4S,5R,6R)-6-[3-(3,4-Dihydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate	Investigative	137646442	C23H28O11	480.5	COC1=C(C=CC(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCCC3=CC(=C(C=C3)O)O)O)O)O)O	IC50 = 61100 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B14FWU	[(2R,3S,4S,5R,6R)-6-[1,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate	Investigative	137652722	C26H34O15	586.5	COC1=CC(=CC(=C1O)OC)C(C(CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)O)O)O	IC50 = 86220 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B19NMJ	5-Hydroxy-2-(4-hydroxyphenyl)-6,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one	Investigative	137642334	C27H30O16	610.5	C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	IC50 = 50240 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B1LTY0	Trpyrth	Investigative	127005	C7H7N5OS	209.23	C1CN2C(=C3C(=NC2=O)N=NN3)SC1	Ki ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B1QBA5	2-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetic acid	Investigative	122182611	C17H12O7	328.27	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B1R7XE	7-O-[alpha-L-Rhamnosyl-(1->2)-beta-D-glucosyl]chrysoeriol	Investigative	44593486	C28H32O15	608.5	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)CO)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B1YKH7	Nobiletin	Investigative	72344	C21H22O8	402.4	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B2JZ4X	(2S)-2-[[(E)-3-[2-(3,4-Dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid	Investigative	137637320	C27H23NO8	489.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B2LQ8Y	7-Methyl-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purine-2,10-dione	Investigative	15063047	C9H10N4O2S	238.27	CC1CN2C(=O)C3=C(NC(=O)N3)N=C2SC1	Ki ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B2WU6L	Chembl4224890	Investigative	145968512	C15H10ClFN2O2	304.7	C1=CC(=CC=C1C/C(=N\\O)/C2=NC3=C(O2)C=C(C=C3)Cl)F	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B32LKX	4-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxybutanoic acid	Investigative	122182612	C19H16O7	356.3	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B3S1DZ	5-Amino-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile	Investigative	12952992	C11H7F3N4	252.2	C1=CC(=CC=C1C(F)(F)F)N2C(=C(C=N2)C#N)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B45UQK	Chembl4225990	Investigative	145970362	C15H10BrFN2O2	349.15	C1=CC(=CC=C1C/C(=N\\O)/C2=NC3=C(O2)C=C(C=C3)Br)F	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B4U8GL	5-Nitrobenzimidazole	Investigative	7195	C7H5N3O2	163.13	C1=CC2=C(C=C1[N+](=O)[O-])NC=N2	IC50 = 86840 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B5AH3Z	Chembl4228302	Investigative	145970254	C15H10ClFN2O2	304.7	C1=CC(=CC=C1C/C(=N\\O)/C2=NC3=C(O2)C=CC(=C3)Cl)F	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B5M2PI	7-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanoic acid	Investigative	122182615	C22H22O7	398.4	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B5UCF0	Tangeretin	Investigative	68077	C20H20O7	372.4	COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B5Z3JC	4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-Dihydroxy-4-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxybenzoic acid	Investigative	45782989	C27H32O16	612.5	COC1=C(C=CC(=C1)C(=O)OC[C@]2(CO[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C(C=C(C=C4)C(=O)O)OC)CO)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B65MFQ	Chembl4225688	Investigative	145968076	C18H16N2O3	308.3	C/C(=N\\OC(=O)CCC1=CC=CC=C1)/C2=NC3=CC=CC=C3O2	IC50 = 52500 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B67OJZ	8-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoctanoic acid	Investigative	122182628	C23H24O7	412.4	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCCCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B68COZ	2-Butylthio-5-formylamino-6-aminopyrimidin-4(3H)-one	Investigative	135463610	C9H14N4O2S	242.3	CCCCSC1=NC(=C(C(=O)N1)NC=O)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B6D0WU	5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile	Investigative	219732	C10H7N5O2	229.19	C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B6FZO3	(2S)-2-[[(E)-3-[2-(3,4-Dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoic acid	Investigative	137659818	C21H19NO7	397.4	C[C@@H](C(=O)O)NC(=O)/C=C/C1=C2C=C(OC2=C(C=C1)OC)C3=CC(=C(C=C3)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B6JMD0	Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoate	Investigative	137632805	C28H25NO9	519.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@H](CC3=CC(=C(C=C3)O)O)C(=O)OC)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B72BSQ	6-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyhexanoic acid	Investigative	122182626	C21H20O7	384.4	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B7C9AT	N-(6-Oxo-4-phenyl-1H-pyrimidin-2-yl)methanesulfonamide	Investigative	136241444	C11H11N3O3S	265.29	CS(=O)(=O)NC1=NC(=CC(=O)N1)C2=CC=CC=C2	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B7EHF2	(-)-Specioside	Investigative	44566579	C23H28O11	480.5	C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@]2(O3)CO)O/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	IC50 = 79880 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B7LGO3	7-Methyl-2-thioxo-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one	Investigative	3004518	C9H10N4OS2	254.3	CC1CN2C(=O)C3=C(NC(=S)N3)N=C2SC1	Ki ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B83RQP	3-Hydroxy-6-[3-(pyrrolidin-1-yl)-propoxy]xanthone	Investigative	52915991	C20H21NO4	339.4	C1CCN(C1)CCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)O	IC50 = 68800 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B89YFC	(2S,3R,4R,5R,6R)-2-Methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol	Investigative	11168830	C27H34O12	550.6	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3)OC)/C=C/C4=CC=C(C=C4)O)O)O)O)O)O)O	IC50 = 129000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B8GJN6	(2S)-2-[[(E)-3-[2-(3,4-Dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-phenylpropanoic acid	Investigative	137644006	C27H23NO7	473.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B8I2XF	3-[3-(Pyrrolidin-1-yl)-propoxy]xanthone	Investigative	52915986	C20H21NO3	323.4	C1CCN(C1)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3	IC50 = 65500 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B90UML	5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile	Investigative	2800424	C11H10N4	198.22	CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B95HXJ	5-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxypentanoic acid	Investigative	122182625	C20H18O7	370.4	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B97CJG	3-Hydroxyflavone	Investigative	11349	C15H10O3	238.24	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B9D1WZ	Octadecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326719	C33H48O7	556.7	CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 155750 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B9HDI2	4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-ethyl-1,5-dihydro-	Investigative	135682068	C7H8N4O	164.16	CCC1=NC2=C(C=NN2)C(=O)N1	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B9V4ON	Chembl4175403	Investigative	145951102	C27H32O15	596.5	C1[C@@H](OC2=C(C1=O)C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O	IC50 = 95400 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	B9VI7E	5-Amino-1-(4-cyanophenyl)pyrazole-4-carbonitrile	Investigative	24873793	C11H7N5	209.21	C1=CC(=CC=C1C#N)N2C(=C(C=N2)C#N)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BA38YM	Butyric acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326901	C19H20O7	360.4	CCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 139000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BA3J0Y	6-Propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one	Investigative	136087126	C8H10N4O	178.19	CCCC1=NC2=C(C=NN2)C(=O)N1	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BABW20	(2R,3R)-2-(3,4-Dihydroxyphenyl)-3-hydroxy-5,6,7-trimethoxy-2,3-dihydrochromen-4-one	Investigative	44219681	C18H18O8	362.3	COC1=C(C(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)OC)OC	IC50 = 96700 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BAI89F	3-[3-(Diethylamino)-propoxy]xanthone	Investigative	52915989	C20H23NO3	325.4	CCN(CC)CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2	IC50 = 56500 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BAJ05V	7'-Hydroxydivanillyltetrahydrofuran	Investigative	44566586	C20H24O6	360.4	COC1=C(C=CC(=C1)C[C@@H]2COC[C@@H]2C(C3=CC(=C(C=C3)O)OC)O)O	IC50 = 110880 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BAR08K	Chembl4226441	Investigative	145970624	C15H11BrN2O2	331.16	C1=CC=C(C=C1)C/C(=N\\O)/C2=NC3=C(O2)C=C(C=C3)Br	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BAX14Q	Chembl4225751	Investigative	145967623	C16H12N2O3	280.28	C/C(=N\\OC(=O)C1=CC=CC=C1)/C2=NC3=CC=CC=C3O2	IC50 = 50500 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BB9OA1	2-Hexylthio-5-formylamino-6-aminopyrimidin-4(3H)-one	Investigative	135463652	C11H18N4O2S	270.35	CCCCCCSC1=NC(=C(C(=O)N1)NC=O)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BBT28O	2-Sulfanylidene-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one	Investigative	15063049	C8H8N4OS2	240.3	C1CN2C(=O)C3=C(NC(=S)N3)N=C2SC1	Ki = 131000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BCI60E	Apigenin-4''-O-(6''''-O-p-coumaroyl)-beta-D-glucopyranoside	Investigative	44583919	C30H26O12	578.5	C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BD2C8U	6-Xylosyl-8-glucosylapigenin	Investigative	44566545	C26H28O17	612.5	C1[C@H]([C@@H]([C@H](C(O1)OC2=C(C(=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BDP3O5	2''-Ethoxy-5''-methoxy-2-(5-methylthienyl)chalcone	Investigative	25147699	C17H18O3S	302.4	CCOC1=C(C=C(C=C1)OC)C(=O)/C=C/C2=CC=C(S2)C	IC50 = 131000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BDV86H	Isoolivil	Investigative	5316262	C20H24O7	376.4	COC1=C(C=C2[C@@H]([C@H]([C@@](CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O	IC50 = 101380 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BDY87J	5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile	Investigative	2763873	C11H10N4O	214.22	COC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BE31XI	(2R,4Ar,6aR,6aR,6bR,8aR,9S,10S,12aR,14aR,14bS)-9-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid	Investigative	137662251	C40H66O14	770.9	C[C@]1(CC[C@@]2(CC[C@@]3([C@@H]([C@@H]2C1)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)O)C)C)C)C(=O)O)O	IC50 = 57420 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BF93MI	2-Phenyl-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraaza-cyclopenta[a]naphthalen-5-one	Investigative	10564990	C14H12N4OS	284.34	C1CN2C(=C3C(=NC2=O)N=C(N3)C4=CC=CC=C4)SC1	Ki = 93000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BH3G8V	(2R)-3-(3,4-Dihydroxyphenyl)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoic acid	Investigative	137645788	C27H23NO9	505.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@H](CC3=CC(=C(C=C3)O)O)C(=O)O)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BHPX72	Yemuoside YM10	Investigative	195123	C58H92O25	1189.3	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)O)O)O)CO)O)O)O	IC50 = 97300 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BI29AE	(-)-6-Feruloyl-catalpol	Investigative	44566578	C24H30O12	510.5	COC1=C(C=CC(=C1)/C=C/O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O	IC50 = 150400 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BI5ZQ6	Chembl4227343	Investigative	145970658	C15H11ClN2O2	286.71	C1=CC=C(C=C1)C/C(=N\\O)/C2=NC3=C(O2)C=CC(=C3)Cl	IC50 = 58100 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BIN0Z5	4-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxybutanoic acid	Investigative	122182624	C19H16O7	356.3	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BIQ45X	6-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanoic acid	Investigative	122182614	C21H20O7	384.4	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BJ4GM9	Methyl (2S)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoate	Investigative	137638109	C22H21NO7	411.4	C[C@@H](C(=O)OC)NC(=O)/C=C/C1=C2C=C(OC2=C(C=C1)OC)C3=CC(=C(C=C3)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BJ5K8H	4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-butyl-1,5-dihydro-	Investigative	136087125	C9H12N4O	192.22	CCCCC1=NC2=C(C=NN2)C(=O)N1	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BJG3B5	1,3,7,8-Tetrahydro-6H-[1,3]thiazino[3,2-a]purine-2,10-dione	Investigative	14642193	C8H8N4O2S	224.24	C1CN2C(=O)C3=C(NC(=O)N3)N=C2SC1	Ki = 66800 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BK2JL6	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate	Investigative	137633624	C64H102O30	1351.5	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)C)O)O)O)CO)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BKWJ42	5-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxypentanoic acid	Investigative	122182613	C20H18O7	370.4	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BKY6Z2	3-[3-(Cyclohexylamino)-propoxy]-6-hydroxyxanthone	Investigative	52916097	C22H25NO4	367.4	C1CCC(CC1)NCCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)O	IC50 = 72900 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BL0Q5S	3-Hydroxycoumarin	Investigative	13650	C9H6O3	162.14	C1=CC=C2C(=C1)C=C(C(=O)O2)O	IC50 = 131000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BLP19Q	3-[3-(Piperazino)-propoxy]xanthone	Investigative	52915988	C20H22N2O3	338.4	C1CN(CCN1)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3	IC50 = 108700 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BLR2F4	3-[3-(Cyclopropylamino)-propoxy]-6-hydroxyxanthone	Investigative	52915992	C19H19NO4	325.4	C1CC1NCCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)O	IC50 = 63000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BM38HV	5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile	Investigative	639097	C10H7ClN4	218.64	C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Cl	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BM8Q7D	Methyl (2S)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoate	Investigative	137632849	C28H25NO8	503.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BN56ZM	(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	Investigative	11193310	C33H44O16	696.7	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3)OC)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O)O)O)O)O	IC50 = 178000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BO0DW6	3-Hydroxy-6-[3-(piperazino)-propoxy]xanthone	Investigative	52916099	C20H22N2O4	354.4	C1CN(CCN1)CCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)O	IC50 = 91900 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BO80UT	Methyl (2S)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-phenylpropanoate	Investigative	137655596	C28H25NO7	487.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BOY1T8	Decanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326948	C25H32O7	444.5	CCCCCCCCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 112000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BPBJ50	8-Hydroxy-2-phenylmethanesulfonyl-1,9-dihydro-purin-6-one	Investigative	135463707	C12H10N4O4S	306.3	C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(C(=O)N2)NC(=O)N3	Ki = 77840 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BQM40A	N-(4''-Carboxyphenyl)-1H-4-aminopyrazolo[3,4-d]pyrimidine	Investigative	24873795	C12H9N5O2	255.23	C1=CC(=CC=C1C(=O)O)N2C3=NC=NC(=C3C=N2)N	IC50 = 80970 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BR39NU	Hexanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326949	C21H24O7	388.4	CCCCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 129000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BR4I5C	3-Hydroxy-6-[3-(piperidin-1-yl)-propoxy]xanthone	Investigative	52915990	C21H23NO4	353.4	C1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)O	IC50 = 82300 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BR98WY	Hexadecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	10098455	C31H44O7	528.7	CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 94700 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BRB75C	N-(6-Oxo-3,7-dihydropurin-2-yl)butanamide	Investigative	135411165	C9H11N5O2	221.22	CCCC(=O)NC1=NC2=C(C(=O)N1)NC=N2	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BRBC89	2-Amino-3-methyl-6-phenyl-4-pyrimidinone	Investigative	13320505	C11H11N3O	201.22	CN1C(=O)C=C(N=C1N)C2=CC=CC=C2	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BSE12U	4-Hydroxy-3-methoxycinnamaldehyde	Investigative	5280536	C10H10O3	178.18	COC1=C(C=CC(=C1)/C=C/C=O)O	Ki = 93880 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BSF31B	6-Pentyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one	Investigative	136087127	C10H14N4O	206.24	CCCCCC1=NC2=C(C=NN2)C(=O)N1	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BSJ68E	Naringenin	Investigative	439246	C15H12O5	272.25	C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	IC50 ~ 50000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BSM96O	Methyl (2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoate	Investigative	137654238	C28H25NO9	519.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC(=C(C=C3)O)O)C(=O)OC)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BSY42D	Acetic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326902	C17H16O7	332.3	CC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 150000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BTBW64	(2R)-2-[[(E)-3-[2-(3,4-Dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid	Investigative	137660639	C29H24N2O7	512.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)C=C(O2)C5=CC(=C(C=C5)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BTLM82	2-(4-Hydroxyphenyl)-5,7-dihydroxy-6,8-bis(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one	Investigative	5315206	C27H30O17	626.5	C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BU61RZ	Epigallocatechin	Investigative	72277	C15H14O7	306.27	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BUDT54	Tetradecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester	Investigative	44326903	C29H40O7	500.6	CCCCCCCCCCCCCC(=O)O[C@@H]1CC2=C(C(=C(C=C2)O)O)O[C@H]1C3=CC(=C(C=C3)O)O	IC50 = 102000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BUS78T	7-[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyheptanoic acid	Investigative	122182627	C22H22O7	398.4	C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OCCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BV6Q2T	8-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanoic acid	Investigative	122182616	C23H24O7	412.4	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCCCCCCCC(=O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BV6S0C	4-Hydroxycoumarin	Investigative	54682930	C9H6O3	162.14	C1=CC=C2C(=C1)C(=CC(=O)O2)O	IC50 = 195000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BVCK81	[(2S,3R,4R,5S,6R)-6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	Investigative	10101409	C39H32O14	724.7	C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BVNK06	Chembl4229154	Investigative	145987280	C16H11BrN2O3	359.17	C/C(=N\\OC(=O)C1=CC=CC=C1Br)/C2=NC3=CC=CC=C3O2	IC50 = 64300 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BVQU34	2-Pentylthio-5-formylamino-6-aminopyrimidin-4(3H)-one	Investigative	135529676	C10H16N4O2S	256.329	CCCCCSC1=NC(=C(C(=O)N1)NC=O)N	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BWB30U	Hypolaetin-8-glucoside	Investigative	5318255	C21H20O12	464.4	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BX40VB	2-Acetamido-6-phenyl-4-pyrimidinone	Investigative	135590630	C12H11N3O2	229.23	CC(=O)NC1=NC(=CC(=O)N1)C2=CC=CC=C2	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BYQS94	3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one	Investigative	44566544	C26H28O17	612.5	C1[C@H]([C@@H]([C@H](C(O1)OC2=C3C(=C(C(=C2O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C(=C(O3)C5=CC=C(C=C5)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BZ3Y2D	(2S)-3-(3,4-Dihydroxyphenyl)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-4-yl]prop-2-enoyl]amino]propanoic acid	Investigative	137647236	C27H23NO9	505.5	COC1=C2C(=C(C=C1)/C=C/C(=O)N[C@@H](CC3=CC(=C(C=C3)O)O)C(=O)O)C=C(O2)C4=CC(=C(C=C4)O)O	IC50 ~ 60000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BZ62RQ	(2R,4Ar,6aR,6aR,6bR,8aR,9S,10S,12aR,14aR,14bS)-9-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid	Investigative	137648311	C41H68O14	785	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@@]3([C@@H]4CC[C@@]5([C@@H]([C@]4(CC[C@@H]3O)C)CC[C@H]6[C@]5(CC[C@@]7([C@H]6C[C@](CC7)(C)O)C(=O)O)C)C)C)CO)O)O)O)O)O	IC50 = 56680 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	BZ8O5L	3-[3-(Diethylamino)-propoxy]-6-hydroxyxanthone	Investigative	52916098	C20H23NO4	341.4	CCN(CC)CCCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)O	IC50 = 53500 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D07DJS	QUERCITRIN	Investigative	5280459	C21H20O11	448.4	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D09ALJ	Rutin	Investigative	5280805	C27H30O16	610.5	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	IC50 = 52200 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0E0RW	ISOSCOPOLETIN	Investigative	69894	C10H8O4	192.17	COC1=C(C=C2C=CC(=O)OC2=C1)O	IC50 = 138000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0IB3K	TILIROSIDE	Investigative	5320686	C30H26O13	594.5	C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0T3NP	methyl p-hydroxybenzoate	Investigative	7456	C8H8O3	152.15	COC(=O)C1=CC=C(C=C1)O	IC50 ~ 50000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0V7AA	CATECHIN	Investigative	9064	C15H14O6	290.27	C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	IC50 ~ 100000 nM	Poor binder
T40954	Xanthine dehydrogenase/oxidase	D0ZO1R	CIRSIMARIN	Investigative	159460	C23H24O11	476.4	COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC	IC50 ~ 100000 nM	Poor binder