TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T91661	Adenosine kinase	B0V4JY	2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-ethyl-tetrahydro-furan-3,4-diol	Investigative	10644087	C12H15IN4O3	390.18	CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)I)O)O	IC50 = 16664795936 nM	Non binder
T91661	Adenosine kinase	B0X1CF	(3R,4S,5R)-2-(4-Amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(azidomethyl)oxolane-3,4-diol	Investigative	46875874	C11H12BrN7O3	370.16	C1=C(C2=C(N=CN=C2N1C3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N)Br	IC50 = 15848931925 nM	Non binder
T91661	Adenosine kinase	B23PTQ	7-[(3R,4S,5R)-3,4-Dihydroxy-5-methyloxolan-2-yl]-5-iodo-1H-pyrrolo[2,3-d]pyrimidine-4-thione	Investigative	46875861	C11H12IN3O3S	393.2	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2NC=NC3=S)I)O)O	IC50 = 154881661.9 nM	Non binder
T91661	Adenosine kinase	B26UOK	4-Amino-7-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile	Investigative	46875904	C12H13N5O3	275.26	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)C#N)O)O	IC50 = 3235936569 nM	Non binder
T91661	Adenosine kinase	B3UTI9	2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol	Investigative	10550320	C12H13ClIN3O4	425.61	COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3Cl)I)O)O	IC50 = 2238721139 nM	Non binder
T91661	Adenosine kinase	B42HNK	(3R,4S,5R)-2-(4-Amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-ethyloxolane-3,4-diol	Investigative	46875758	C12H15IN4O3	390.18	CC[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)I)O)O	IC50 = 16595869074 nM	Non binder
T91661	Adenosine kinase	B47TJB	Toyocamycin	Investigative	11824	C12H13N5O4	291.26	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N	IC50 = 3228494122 nM	Non binder
T91661	Adenosine kinase	B54VBT	5'-Deoxytoyocamycin	Investigative	128252	C12H13N5O3	275.26	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C#N)O)O	IC50 = 3228494122 nM	Non binder
T91661	Adenosine kinase	B5B6AF	2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol	Investigative	10573376	C12H15IN4O4	406.18	COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)I)O)O	IC50 = 831763771.1 nM	Non binder
T91661	Adenosine kinase	B5DSK3	2-(4-Chloro-5-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10589071	C12H14ClN3O3	283.71	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3Cl)C)O)O	IC50 = 1868959972 nM	Non binder
T91661	Adenosine kinase	B5G1FQ	(2R,3S,4R)-2-(Azidomethyl)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol	Investigative	46875843	C11H10ClIN6O3	436.59	C1=C(C2=C(N1C3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N=CN=C2Cl)I	IC50 = 112000000000 nM	Non binder
T91661	Adenosine kinase	B5GS7Q	(3R,4S,5R)-2-(4-Amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875916	C12H16N4O3	264.28	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)C)O)O	IC50 = 60255958.61 nM	Non binder
T91661	Adenosine kinase	B5MIX1	(3R,4S,5R)-2-(4-Chloro-5-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875839	C12H14ClN3O3S	315.78	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2N=CN=C3Cl)SC)O)O	IC50 = 14125375446 nM	Non binder
T91661	Adenosine kinase	B5O3GF	2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-aminomethyl-tetrahydro-furan-3,4-diol	Investigative	10340386	C11H14IN5O3	391.17	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N)I	IC50 = 1660000000000 nM	Non binder
T91661	Adenosine kinase	B6GJ8M	4-Amino-7-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide	Investigative	46875752	C12H15N5O4	293.28	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)C(=O)N)O)O	IC50 = 2187761624 nM	Non binder
T91661	Adenosine kinase	B6K9MW	10-(Dimethylamino)-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-one	Investigative	53317344	C20H18N2OS	334.4	CN(C)C1=CC=C2N1C3=CC=CC=C3SC(C2=O)C4=CC=CC=C4	IC50 > 1000000 nM	Non binder
T91661	Adenosine kinase	B6TO5Y	(3R,4S,5R)-2-(5-Iodo-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875926	C12H14IN3O3S	407.23	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2N=CN=C3SC)I)O)O	IC50 = 22387211386 nM	Non binder
T91661	Adenosine kinase	B73SQR	(3R,4S,5R)-2-(4-Amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-ethyloxolane-3,4-diol	Investigative	46875759	C12H15BrN4O3	343.18	CC[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)Br)O)O	IC50 = 1995262315 nM	Non binder
T91661	Adenosine kinase	B7SZ8F	2-Azidomethyl-5-(5-bromo-4-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol	Investigative	10596515	C11H10BrClN6O3	389.59	C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N=CN=C2Cl)Br	IC50 = 10000000000 nM	Non binder
T91661	Adenosine kinase	B83FSX	2-(4-Amino-5-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10825497	C12H16N4O3	264.28	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C)O)O	IC50 = 60603820.05 nM	Non binder
T91661	Adenosine kinase	B8AQP3	2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-azidomethyl-tetrahydro-furan-3,4-diol	Investigative	10835751	C11H12IN7O3	417.16	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N)I	IC50 = 28569326346 nM	Non binder
T91661	Adenosine kinase	B8KJM4	5-Bromotubercidin	Investigative	97186	C11H13BrN4O4	345.15	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br	IC50 = 8317637711 nM	Non binder
T91661	Adenosine kinase	B8MWK1	(3R,4S,5R)-2-(4-Amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(azidomethyl)oxolane-3,4-diol	Investigative	46875921	C11H12IN7O3	417.16	C1=C(C2=C(N=CN=C2N1C3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N)I	IC50 = 28840315031 nM	Non binder
T91661	Adenosine kinase	B97RMJ	(3R,4S,5R)-2-(4-Chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875918	C11H11ClIN3O3	395.58	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2N=CN=C3Cl)I)O)O	IC50 = 331000000000 nM	Non binder
T91661	Adenosine kinase	BB23SZ	(3R,4S,5R)-2-(4-Chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875781	C12H14ClN3O3	283.71	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2N=CN=C3Cl)C)O)O	IC50 = 1862087137 nM	Non binder
T91661	Adenosine kinase	BB6FG4	2-(5-Iodo-4-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10501537	C12H14IN3O3S	407.23	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3SC)I)O)O	IC50 = 22222862543 nM	Non binder
T91661	Adenosine kinase	BCM34X	Sangivamycin	Investigative	14978	C12H15N5O5	309.28	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N	IC50 = 2127649080 nM	Non binder
T91661	Adenosine kinase	BDZY98	2-Azidomethyl-5-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol	Investigative	10765391	C11H10ClIN6O3	436.59	C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N=CN=C2Cl)I	IC50 = 111000000000 nM	Non binder
T91661	Adenosine kinase	BE60WP	(2R,3S,4R)-2-(Aminomethyl)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol	Investigative	46875886	C11H12ClIN4O3	410.59	C1=C(C2=C(N1C3[C@@H]([C@@H]([C@H](O3)CN)O)O)N=CN=C2Cl)I	IC50 = 10000000000000 nM	Non binder
T91661	Adenosine kinase	BF31NV	2-(5-Bromo-4-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10641488	C11H11BrClN3O3	348.58	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3Cl)Br)O)O	IC50 = 19998618696 nM	Non binder
T91661	Adenosine kinase	BFD9Y2	2-Aminomethyl-5-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol	Investigative	10454249	C11H12ClIN4O3	410.59	C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N=CN=C2Cl)I	IC50 = 10000000000000 nM	Non binder
T91661	Adenosine kinase	BG0W6Z	2-(4-Chloro-5-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10757745	C12H14ClN3O3S	315.78	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3Cl)SC)O)O	IC50 = 14285649814 nM	Non binder
T91661	Adenosine kinase	BG2UM8	(3R,4S,5R)-2-(4-Amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol	Investigative	46875927	C11H14BrN5O3	344.16	C1=C(C2=C(N=CN=C2N1C3[C@@H]([C@@H]([C@H](O3)CN)O)O)N)Br	IC50 = 5010000000000 nM	Non binder
T91661	Adenosine kinase	BG53SL	2-(4-Amino-5-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10780262	C12H16N4O3S	296.35	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)SC)O)O	IC50 = 740798339.2 nM	Non binder
T91661	Adenosine kinase	BGFR82	2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-aminomethyl-tetrahydro-furan-3,4-diol	Investigative	10043090	C11H14BrN5O3	344.16	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N)Br	IC50 = 5000000000000 nM	Non binder
T91661	Adenosine kinase	BHU0C5	(3R,4S,5R)-2-(4-Amino-5-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875885	C12H16N4O3S	296.35	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C(N=CN=C32)N)SC)O)O	IC50 = 741310241.3 nM	Non binder
T91661	Adenosine kinase	BK8ZL5	2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-vinyl-tetrahydro-furan-3,4-diol	Investigative	10548287	C12H13IN4O3	388.16	C=C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)I)O)O	IC50 = 10000000000 nM	Non binder
T91661	Adenosine kinase	BO0TL1	2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10596865	C11H11ClIN3O3	395.58	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3Cl)I)O)O	IC50 = 333000000000 nM	Non binder
T91661	Adenosine kinase	BQR9G6	4-Amino-7-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide	Investigative	44329981	C12H15N5O4	293.28	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C(=O)N)O)O	IC50 = 2172701179 nM	Non binder
T91661	Adenosine kinase	BT1UL9	5-Chlorotubercidin	Investigative	97453	C11H13ClN4O4	300.7	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl	IC50 = 4764309868 nM	Non binder
T91661	Adenosine kinase	BUD1H6	2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-ethyl-tetrahydro-furan-3,4-diol	Investigative	10688712	C12H15BrN4O3	343.18	CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)Br)O)O	IC50 = 1999861870 nM	Non binder
T91661	Adenosine kinase	BUW31H	4-Amino-7-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester	Investigative	10853255	C14H18N4O5	322.32	CCOC(=O)C1=CN(C2=NC=NC(=C12)N)[C@H]3[C@@H]([C@@H]([C@H](O3)C)O)O	IC50 = 1000000000 nM	Non binder
T91661	Adenosine kinase	BV3U8X	Ethyl 4-amino-7-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate	Investigative	46875866	C14H18N4O5	322.32	CCOC(=O)C1=CN(C2=NC=NC(=C12)N)C3[C@@H]([C@@H]([C@H](O3)C)O)O	IC50 = 1000000000 nM	Non binder
T91661	Adenosine kinase	BVUT80	2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-azidomethyl-tetrahydro-furan-3,4-diol	Investigative	10690486	C11H12BrN7O3	370.16	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N)Br	IC50 = 15874497983 nM	Non binder
T91661	Adenosine kinase	BW35HZ	2-Hydroxymethyl-5-(5-iodo-4-methylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol	Investigative	10525360	C12H15IN4O4	406.18	CNC1=C2C(=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)I	IC50 = 831763771.1 nM	Non binder
T91661	Adenosine kinase	BWB03A	2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol	Investigative	10664090	C11H13BrN4O3	329.15	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)Br)O)O	IC50 = 24997697022 nM	Non binder
T91661	Adenosine kinase	BX06YL	(2R,3S,4R)-2-(Azidomethyl)-5-(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol	Investigative	46875865	C11H10BrClN6O3	389.59	C1=C(C2=C(N1C3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N=CN=C2Cl)Br	IC50 = 10000000000 nM	Non binder
T91661	Adenosine kinase	BY6O7S	(2R,3R,4S,5R)-2-(4-Chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol	Investigative	3010388	C11H11ClIN3O4	411.58	C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2Cl)I	IC50 = 41667745222 nM	Non binder
T91661	Adenosine kinase	BZQ67C	(3R,4S,5R)-2-(5-Bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol	Investigative	46875934	C11H11BrClN3O3	348.58	C[C@@H]1[C@H]([C@H](C(O1)N2C=C(C3=C2N=CN=C3Cl)Br)O)O	IC50 = 19952623150 nM	Non binder