TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T36059	Adenosine A3 receptor	D09AMZ	Enprofylline	Approved	1676	C8H10N4O2	194.19	CCCN1C2=C(C(=O)NC1=O)NC=N2	Ki = 92600 nM	Poor binder
T36059	Adenosine A3 receptor	D0B4VE	Flavanone	Phase 1	10251	C15H12O2	224.25	C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3	Ki = 50100 nM	Poor binder
T36059	Adenosine A3 receptor	D0DF2M	PMID28870136-Compound-48	Patented	2153	C7H8N4O2	180.16	CN1C2=C(C(=O)N(C1=O)C)NC=N2	Ki = 52300 nM	Poor binder
T36059	Adenosine A3 receptor	D0H9IX	PMID28870136-Compound-52	Patented	2519	C8H10N4O2	194.19	CN1C=NC2=C1C(=O)N(C(=O)N2C)C	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B06ESM	N-(4-Chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)-4-methylbenzamide	Investigative	76335919	C16H16ClN5O	329.78	CC1=CC=C(C=C1)C(=O)NC2=NC3=NN(C=C3C(=N2)Cl)C(C)C	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B09ZWJ	7-(2-Hydroxypropyl)-7H-adenine	Investigative	44572472	C8H11N5O	193.21	CC(CN1C=NC2=NC=NC(=C21)N)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B0HPC6	Ethyl 6-(dibenzoylamino)-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732301	C23H19N5O4	429.4	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B0LXK1	2-Chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylcarbamoyl-beta-D-ribofuranosyl)adenine	Investigative	44447519	C18H25ClN6O5	440.9	C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)COC(=O)NC)O)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B1O3KS	Ethyl 6-[bis(3,4-difluorobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732303	C23H15F4N5O4	501.4	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)N(C(=O)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=C(C=C4)F)F	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B1WZO8	3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid	Investigative	10687044	C16H14O3S2	318.4	C1CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C(=O)O	Ki = 117000 nM	Poor binder
T36059	Adenosine A3 receptor	B23YKD	(1S,3R,4R,7S)-1-(Hydroxymethyl)-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol	Investigative	44436076	C18H18IN5O4	495.3	C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)I)O)CO	EC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B28BNH	4-Methoxy-5-oxo-5H-furo[3,2-g]chromene-7-carbaldehyde	Investigative	15482559	C13H8O5	244.2	COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)C=O	Ki = 88900 nM	Poor binder
T36059	Adenosine A3 receptor	B28GAW	4-Chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine	Investigative	76335917	C10H14ClN5	239.7	CC(C)(C)CN1C=C2C(=N1)N=C(N=C2Cl)N	Ki ~ 60000 nM	Poor binder
T36059	Adenosine A3 receptor	B2VPC0	(1R,3R,4R,7S)-1-(Hydroxymethyl)-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-7-ol	Investigative	23653582	C18H19IN6O3	494.3	C1[C@]2([C@H]([C@@H](N1)[C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)I)O)CO	EC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B2YC9G	6-Amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide	Investigative	118732279	C9H12N6O	220.23	CC(C)N1C=C2C(=NC(=NC2=N1)N)C(=O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B36UHT	2'-O-Methyladenosine	Investigative	102213	C11H15N5O4	281.27	CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O	EC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B3CHK4	(1R,3R,4R,7S)-3-(6-Amino-purin-9-yl)-1-hydroxymethyl-2-oxa-5-aza-bicyclo[2.2.1]heptan-7-ol	Investigative	11858470	C11H14N6O3	278.27	C1[C@]2([C@H]([C@@H](N1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)CO	IC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B45XBV	2-Chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylthiocarbamoyl-beta-D-ribofuranosyl)adenine	Investigative	24882472	C18H25ClN6O4S	456.9	C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)COC(=S)NC)O)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B4J3CY	Ethyl 6-(dibenzoylamino)-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732305	C30H25N5O4	519.5	CCOC(=O)C1=NC(=NC2=NN(C=C12)CCC3=CC=CC=C3)N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B4NY5V	6-Amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide	Investigative	118732278	C7H8N6O	192.18	CN1C=C2C(=NC(=NC2=N1)N)C(=O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B57HAP	[(2R,3R,4R,5R)-5-[2-Chloro-6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl N-methylcarbamate	Investigative	44447534	C17H23ClN6O6	442.9	C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N[C@@H]4CCOC4)COC(=O)NC)O)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B5HGL2	8-Bromo-9-cycloheptyl-9H-adenine	Investigative	44572410	C12H16BrN5	310.19	C1CCCC(CC1)N2C3=NC=NC(=C3N=C2Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B5UA1K	1-Phenyl-3-(2-(pyrrolidin-1-yl)quinazolin-4-yl)urea	Investigative	10616645	C19H19N5O	333.4	C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NC(=O)NC4=CC=CC=C4	Ki = 82300 nM	Poor binder
T36059	Adenosine A3 receptor	B64RXZ	N6-(3-Iodobenzyl)-9-(3-deoxy-3-ureido-B-D-ribofuranosyl)adenine	Investigative	11584486	C18H20IN7O4	525.3	C1=CC(=CC(=C1)I)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)NC(=O)N)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B65RIZ	1-(2-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-urea	Investigative	10690524	C22H18N4O2	370.4	COC1=CC=CC=C1NC(=O)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4	Ki = 87300 nM	Poor binder
T36059	Adenosine A3 receptor	B6B3SX	2-Amino-N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]acetamide;hydrochloride	Investigative	49796904	C20H19ClN8O2	438.9	C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N4C3=NC(=N4)C5=CC=CO5)NC(=O)CN.Cl	Ki = 162929.6 nM	Poor binder
T36059	Adenosine A3 receptor	B6JN5Z	(1S,3R,4R,7S)-7-Hydroxy-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide	Investigative	44436079	C19H20IN7O3	521.299	CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)I	EC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B6OEU5	1-(3-Chlorophenyl)-3-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea	Investigative	10601859	C26H21ClN8O2	512.9	C1=CC=C(C=C1)CCCN2C=C3C(=N2)N=C(N4C3=NC(=N4)C5=CC=CO5)NC(=O)NC6=CC(=CC=C6)Cl	Ki = 60255.96 nM	Poor binder
T36059	Adenosine A3 receptor	B74AZE	7-Methyladenine	Investigative	71593	C6H7N5	149.15	CN1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B7W1TM	N-(4-Chlorophenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine	Investigative	76309925	C15H14ClN5OS	347.8	C1COCCN1C2=C3C(=NC=N2)SC(=N3)NC4=CC=C(C=C4)Cl	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B82BNV	(1S,3R,4R,7S)-3-(6-Aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide	Investigative	44436078	C12H15N7O3	305.29	CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)N	EC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B8A9HD	4-Methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide	Investigative	10359831	C22H17N3O	339.4	CC1=CC=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4	Ki = 96000 nM	Poor binder
T36059	Adenosine A3 receptor	B8EI4M	Ethyl 2-propan-2-yl-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732292	C19H18F3N5O3	421.4	CCOC(=O)C1=NC(=NC2=NN(C=C12)C(C)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B8X2BZ	N-[4-Chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-fluorobenzamide	Investigative	76314155	C20H15ClFN5O	395.8	C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3Cl)NC(=O)C4=CC=C(C=C4)F	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B98WCL	4-Chloro-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide	Investigative	14040415	C21H14ClN3O	359.8	C1=CC=C2C(=C1)C=C(N=C2NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4	Ki = 200000 nM	Poor binder
T36059	Adenosine A3 receptor	B9AVJ8	Ethyl 6-[(4-fluorobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732287	C16H14FN5O3	343.31	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)F	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B9Q7TR	4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-amine	Investigative	21603068	C6H6ClN5	183.6	CN1C=C2C(=N1)N=C(N=C2Cl)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B9VC2H	1-Ethoxymethyl-2-methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester	Investigative	10527314	C27H27NO5	445.5	CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)O)C#CC3=CC=CC=C3)C(=O)OCC)C	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	B9Z2QD	9H-Purin-6-amine, 9-(2-methylpropyl)-	Investigative	44572353	C9H13N5	191.23	CC(C)CN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BA24PS	7-Isobutyl-7H-adenine	Investigative	44572354	C9H13N5	191.23	CC(C)CN1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BB50FW	(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[(3,5-ditert-butylbenzoyl)amino]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide	Investigative	57384287	C35H46N8O5	658.8	CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)N)O)O	IC50 = 60097 nM	Poor binder
T36059	Adenosine A3 receptor	BB5PO9	5-(Cyclohexylcarbamoylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid	Investigative	118707854	C17H18N6O4	370.4	C1CCC(CC1)NC(=O)NC2=NC=C(C3=NC(=NN32)C4=CC=CO4)C(=O)O	Ki = 59400 nM	Poor binder
T36059	Adenosine A3 receptor	BB5WK1	9-Cyclohexyladenine	Investigative	95121	C11H15N5	217.27	C1CCC(CC1)N2C=NC3=C(N=CN=C32)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BBE6H0	1-(3-Chlorophenyl)-3-[4-(furan-2-yl)-11-(3-methylbut-2-enyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea	Investigative	9868991	C22H19ClN8O2	462.9	CC(=CCN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)NC5=CC(=CC=C5)Cl)C	Ki = 54954.09 nM	Poor binder
T36059	Adenosine A3 receptor	BBJE43	3-Methoxy-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide	Investigative	14040418	C22H17N3O2	355.4	COC1=CC=CC(=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4	Ki = 150000 nM	Poor binder
T36059	Adenosine A3 receptor	BCO8K0	1-Tert-butyl-3-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea	Investigative	44388211	C24H26N8O2	458.5	CC(C)(C)NC(=O)NC1=NC2=NN(C=C2C3=NC(=NN31)C4=CC=CO4)CCCC5=CC=CC=C5	Ki = 64565.42 nM	Poor binder
T36059	Adenosine A3 receptor	BEFC26	3-Amino-N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]propanamide;hydrochloride	Investigative	49796907	C21H21ClN8O2	452.9	C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N4C3=NC(=N4)C5=CC=CO5)NC(=O)CCN.Cl	Ki = 79983.43 nM	Poor binder
T36059	Adenosine A3 receptor	BERH82	1-(3-Chlorophenyl)-3-[4-(furan-2-yl)-11-(2-naphthalen-1-ylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea	Investigative	10626463	C29H21ClN8O2	549	C1=CC=C2C(=C1)C=CC=C2CCN3C=C4C(=N3)N=C(N5C4=NC(=N5)C6=CC=CO6)NC(=O)NC7=CC(=CC=C7)Cl	Ki = 51286.14 nM	Poor binder
T36059	Adenosine A3 receptor	BH23DY	2,5,7,9-Tetramethylpyrido[3,4-b]indol-2-ium-6-ol;iodide	Investigative	45266415	C15H17IN2O	368.21	CC1=CC2=C(C(=C1O)C)C3=C(N2C)C=[N+](C=C3)C.[I-]	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BH7GR3	7-Ethylpurin-6-amine	Investigative	185566	C7H9N5	163.18	CCN1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BHLR92	1-[4-(Furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-propan-2-ylurea	Investigative	44388207	C23H24N8O2	444.5	CC(C)NC(=O)NC1=NC2=NN(C=C2C3=NC(=NN31)C4=CC=CO4)CCCC5=CC=CC=C5	Ki = 54954.09 nM	Poor binder
T36059	Adenosine A3 receptor	BI29HX	O-[[(2R,3R,4R,5R)-5-[2-Chloro-6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl] N-methylcarbamothioate	Investigative	44447535	C17H23ClN6O5S	458.9	C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N[C@@H]4CCOC4)COC(=S)NC)O)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BJC2E0	7-(Sec-Butyl)-7H-adenine	Investigative	44572294	C9H13N5	191.23	CCC(C)N1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BJD41P	1-(2-Phenyl-quinazolin-4-yl)-3-o-tolyl-urea	Investigative	10522079	C22H18N4O	354.4	CC1=CC=CC=C1NC(=O)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4	Ki = 115000 nM	Poor binder
T36059	Adenosine A3 receptor	BKX97W	Ethyl 6-benzamido-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732286	C16H15N5O3	325.32	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=CC=C3	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BL9P5I	1-[4-(Furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-propan-2-ylurea	Investigative	44388252	C19H24N8O2	396.4	CC(C)CCN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)NC(C)C	Ki = 64565.42 nM	Poor binder
T36059	Adenosine A3 receptor	BLY71W	LNA-Adenosine	Investigative	44436074	C11H13N5O4	279.25	C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)CO	IC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BN4X1C	7-(2,3-Dihydroxypropyl)-7H-adenine	Investigative	20847387	C8H11N5O2	209.21	C1=NC(=C2C(=N1)N=CN2CC(CO)O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BOAM64	1-(4-Methoxy-phenyl)-3-(4-pyridin-2-yl-thiazol-2-yl)-urea	Investigative	10711231	C16H14N4O2S	326.4	COC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=CC=N3	Ki = 147000 nM	Poor binder
T36059	Adenosine A3 receptor	BP9DX4	N-[(4-Fluorophenyl)methyl]-2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine	Investigative	127036642	C21H15FN6O2	402.4	C1=CC=C(C=C1)OC2=NC3=NC(=NN3C(=N2)NCC4=CC=C(C=C4)F)C5=CC=CO5	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BPS97Q	5'-N-[(2-Amino)ethyl Carboxamido] Adenosine	Investigative	9996282	C12H17N7O4	323.31	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BQ6KV9	(1S,2S,3R,4R,5S)-1-(6-Aminopurin-9-yl)-4-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol	Investigative	71450842	C12H15N5O3	277.28	C1[C@@H]2[C@@]1([C@@H]([C@@H]([C@H]2CO)O)O)N3C=NC4=C(N=CN=C43)N	Ki = 62500 nM	Poor binder
T36059	Adenosine A3 receptor	BR2IP0	4-Chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine	Investigative	76310493	C8H10ClN5	211.65	CC(C)N1C=C2C(=N1)N=C(N=C2Cl)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BR9B2Y	N-Phenyl-7-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine	Investigative	76313640	C21H26N6S	394.5	C1CCN(CC1)C2CCN(CC2)C3=C4C(=NC=N3)SC(=N4)NC5=CC=CC=C5	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BRFW72	4-Chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine	Investigative	76332277	C13H12ClN5	273.72	C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3Cl)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BRS5V4	(1S,3R,4R,7S)-3-(6-Aminopurin-9-yl)-7-hydroxy-N-methyl-2,5-dioxabicyclo[2.2.1]heptane-1-carboxamide	Investigative	44436075	C12H14N6O4	306.28	CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)N	IC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BU5SA8	(1S,3R,4R,7S)-7-Hydroxy-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-2,5-dioxabicyclo[2.2.1]heptane-1-carboxamide	Investigative	44436077	C19H19IN6O4	522.299	CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)I	IC50 ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BU6W5H	3,4-Dimethyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide	Investigative	14040422	C23H19N3O	353.4	CC1=C(C=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4)C	Ki = 69000 nM	Poor binder
T36059	Adenosine A3 receptor	BUB93M	3-Hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one	Investigative	254343	C18H16O6	328.3	COC1=CC(=C(C(=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O)OC	Ki = 50100 nM	Poor binder
T36059	Adenosine A3 receptor	BURH65	7-(3-Hydroxypropyl)-7H-adenine	Investigative	44572470	C8H11N5O	193.21	C1=NC(=C2C(=N1)N=CN2CCCO)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BW26SF	7-Chloro-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine	Investigative	127045166	C11H14ClN5OS	299.78	C1COCCN1CCNC2=NC3=C(S2)N=CN=C3Cl	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BWV9F5	1-Methoxymethyl-2-methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(2-trimethylsilanyl-ethyl) ester	Investigative	10744813	C31H37NO5Si	531.7	CCOC(=O)C1=C(N(C(=C(C1C#CC2=CC=CC=C2)C(=O)OCC[Si](C)(C)C)C3=CC=CC=C3)COC)C	Ki = 170000 nM	Poor binder
T36059	Adenosine A3 receptor	BXU0P8	7-(2-Hydroxyethyl)adenine	Investigative	11019436	C7H9N5O	179.18	C1=NC(=C2C(=N1)N=CN2CCO)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BY96EM	Ethyl 2-methyl-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732288	C17H14F3N5O3	393.32	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	BYS71A	1-(3-Chlorophenyl)-3-[4-(furan-2-yl)-11-[2-(2,4,5-tribromophenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea	Investigative	10605011	C25H16Br3ClN8O2	735.6	C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC3=NN(C=C3C4=NC(=NN42)C5=CC=CO5)CCC6=CC(=C(C=C6Br)Br)Br	Ki = 70794.58 nM	Poor binder
T36059	Adenosine A3 receptor	BZ8A9I	N-(4-Chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluorobenzamide	Investigative	76321429	C15H13ClFN5O	333.75	CC(C)N1C=C2C(=N1)N=C(N=C2Cl)NC(=O)C3=CC=C(C=C3)F	Ki ~ 60000 nM	Poor binder
T36059	Adenosine A3 receptor	BZD73I	Ethyl 2-methyl-6-[(4-methylbenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate	Investigative	118732289	C17H17N5O3	339.3	CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)C	Ki = 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D00MFV	9-(sec-Butyl)-9H-adenine	Investigative	44572293	C9H13N5	191.23	CCC(C)N1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D02HOL	8-Bromo-9-propyl-9H-adenine	Investigative	11849871	C8H10BrN5	256.1	CCCN1C2=NC=NC(=C2N=C1Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D02RBK	9-Benzyl-8-bromo-9H-adenine	Investigative	9904551	C12H10BrN5	304.15	C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D02XPR	(S)-DHPA	Investigative	73124	C8H11N5O2	209.21	C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D03JFX	9-Ethyl-9H-adenine	Investigative	7	C7H9N5	163.18	CCN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D04JIR	9-Methyl-9H-adenine	Investigative	69689	C6H7N5	149.15	CN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D04WHE	9-Propyl-9H-adenine	Investigative	247436	C8H11N5	177.21	CCCN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D04YUM	9-Butyl-9H-adenine	Investigative	75929	C9H13N5	191.23	CCCCN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0A0VT	7-Propyl-7H-adenine	Investigative	44572291	C8H11N5	177.21	CCCN1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0C1PS	9-(3-Hydroxypropyl)-9H-adenine	Investigative	12486289	C8H11N5O	193.21	C1=NC(=C2C(=N1)N(C=N2)CCCO)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0DB7A	9-Isopropyl-9H-adenine	Investigative	414707	C8H11N5	177.21	CC(C)N1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0E2FV	9-Phenylethyl-9H-adenine	Investigative	309375	C13H13N5	239.28	C1=CC=C(C=C1)CCN2C=NC3=C(N=CN=C32)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0E4UT	9-But-3-enyl-9H-adenine	Investigative	13789211	C9H11N5	189.22	C=CCCN1C=NC2=C(N=CN=C21)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0E8RA	8-Bromo-9-(2,3-dihydroxypropyl)-9H-adenine	Investigative	2773172	C8H10BrN5O2	288.1	C1=NC(=C2C(=N1)N(C(=N2)Br)CC(CO)O)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0N8RM	9-(2-Hydroxyethyl)-9H-adenine	Investigative	242652	C7H9N5O	179.18	C1=NC(=C2C(=N1)N(C=N2)CCO)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0OR5V	9-Cyclopropyl-9H-adenine	Investigative	414708	C8H9N5	175.19	C1CC1N2C=NC3=C(N=CN=C32)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0P8MK	2-(6-amino-8-bromo-9H-purin-9-yl)ethanol	Investigative	44572469	C7H8BrN5O	258.079	C1=NC(=C2C(=N1)N(C(=N2)Br)CCO)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0Q6KO	9-(2-Hydroxypropyl)-9H-adenine	Investigative	1942	C8H11N5O	193.21	CC(CN1C=NC2=C(N=CN=C21)N)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0Q6WX	CGS-15943	Investigative	2690	C13H8ClN5O	285.69	C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N	Ki = 84918.05 nM	Poor binder
T36059	Adenosine A3 receptor	D0R8OK	8-Bromo-9-methyl-9H-adenine	Investigative	822296	C6H6BrN5	228.05	CN1C2=NC=NC(=C2N=C1Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0S4JI	9-BENZYL-9H-ADENINE	Investigative	20262	C12H11N5	225.25	C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0S6QA	8-Bromo-9-(2-butyl)-9H-adenine	Investigative	11608719	C9H12BrN5	270.13	CCCCN1C2=NC=NC(=C2N=C1Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0V7MX	9-Cycloheptyl-9H-adenine	Investigative	247678	C12H17N5	231.3	C1CCCC(CC1)N2C=NC3=C(N=CN=C32)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0W6FC	8-Bromo-9-(2-hydroxypropyl)-9H-adenine	Investigative	44572473	C8H10BrN5O	272.1	CC(CN1C2=NC=NC(=C2N=C1Br)N)O	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0W8RB	8-Bromo-9-(but-3-enyl)-9H-adenine	Investigative	44572357	C9H10BrN5	268.11	C=CCCN1C2=NC=NC(=C2N=C1Br)N	Ki ~ 100000 nM	Poor binder
T36059	Adenosine A3 receptor	D0Z2QM	7-Isopropyl-7H-adenine	Investigative	23562742	C8H11N5	177.21	CC(C)N1C=NC2=NC=NC(=C21)N	Ki ~ 100000 nM	Poor binder