Brief Information of the Cell Line and Protein
Cell Line ID: CL000386 , Flp-In-CHO
Synonyms
Flp-In CHO
CHO Flp-In
CHO-Flp-In
Category Spontaneously immortalized cell line
Organism
Cricetulus griseus (Chinese hamster)
Cellosaurus ID
CVCL_U424
Protein ID: PT00840 , Adenosine receptor A1
Gene Name ADORA1
Organism Homo sapiens, Human
Protein Classification Membrane receptor
Uniprot ID P30542
Table of Molecular Bioactivities Related to the Cell Line and Protein
Cell Line ID: CL000386  Protein ID: PT00840
 
Compound ID Compound Name Compound Formula
CP0039348
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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C12H16N6O4
 7
1
EC50 = 0.4365 nM
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2
EC50 = 0.5012 nM
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3
EC50 = 0.7586 nM
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4
EC50 = 1.259 nM
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5
EC50 = 1.38 nM
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6
EC50 = 1.622 nM
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7
EC50 = 4.898 nM
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CP0451309
4-[[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
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C24H23FN6O7S
 2
1
EC50 = 0.912 nM
   TI
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2
EC50 = 1 nM
   TI
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CP0451310
1-[[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]methyl]-3-(4-isothiocyanatophenyl)thiourea
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C25H24N8O4S2
 2
1
EC50 = 1.585 nM
   TI
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2
EC50 = 54.95 nM
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CP0562224
N-[[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]methyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
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C26H28N6O5
 1
1
EC50 = 1.585 nM
   TI
   LI
   LO
   TS
CP0553149
1-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]-3-(4-isothiocyanatophenyl)thiourea
   Show/Hide
C20H22N8O4S2
 1
1
EC50 = 3.162 nM
   TI
   LI
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   TS
CP0557786
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(6-isothiocyanatohexylamino)purin-9-yl]oxolane-3,4-diol
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C17H24N6O4S
 1
1
EC50 = 6.31 nM
   TI
   LI
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   TS
CP0569142
N-[4-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]but-3-ynyl]benzamide
   Show/Hide
C27H26N6O5
 2
1
EC50 = 12.3 nM
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2
EC50 = 107.15 nM
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CP0567553
N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
   Show/Hide
C25H34N6O5
 1
1
EC50 = 15.85 nM
   TI
   LI
   LO
   TS
CP0444859
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[4-(isothiocyanatomethyl)anilino]purin-9-yl]oxolane-3,4-diol
   Show/Hide
C18H18N6O4S
 2
1
EC50 = 19.95 nM
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2
EC50 = 269.15 nM
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CP0574471
1-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]-3-(4-isothiocyanatophenyl)thiourea
   Show/Hide
C24H30N8O4S2
 1
1
EC50 = 19.95 nM
   TI
   LI
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   TS
CP0417388
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[7-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]heptyl]benzamide
   Show/Hide
C42H42F3N7O6S
 2
1
EC50 = 22.91 nM
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2
EC50 = 199.53 nM
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CP0451327
N-[10-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]decyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
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C29H42N6O5
 1
1
EC50 = 25.12 nM
   TI
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   TS
CP0558715
1-[10-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]decyl]-3-(4-isothiocyanatophenyl)thiourea
   Show/Hide
C28H38N8O4S2
 1
1
EC50 = 25.12 nM
   TI
   LI
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   TS
CP0389165
4-(5-amino-4-benzoylthiophen-2-yl)-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C34H37N7O6S
 2
1
EC50 = 29.51 nM
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2
EC50 = 41.69 nM
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CP0018686
(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide
   Show/Hide
C18H19IN6O4
 1
1
EC50 = 31.62 nM
   TI
   LI
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   TS
CP0568950
[2-amino-5-[4-[1-[5-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pentyl]triazol-4-yl]phenyl]-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
   Show/Hide
C41H38F3N9O5S
 2
1
EC50 = 33.11 nM
   TI
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   TS
2
EC50 = 1412.54 nM
   TI
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CP0394587
3-(5-aminothiophen-2-yl)-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C27H33N7O5S
 2
1
EC50 = 34.67 nM
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2
EC50 = 67.61 nM
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CP0389164
N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]-3-thiophen-2-ylbenzamide
   Show/Hide
C27H32N6O5S
 2
1
EC50 = 35.48 nM
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2
EC50 = 234.42 nM
   TI
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CP0389166
4-[5-amino-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C34H36F3N7O5S
 2
1
EC50 = 38.02 nM
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2
EC50 = 109.65 nM
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CP0882253
2-Amino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
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C16H23N7O4
 1
1
EC50 = 39.81 nM
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CP0546139
N-[3-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]prop-2-ynyl]benzamide
   Show/Hide
C26H24N6O5
 2
1
EC50 = 40.74 nM
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2
EC50 = 74.13 nM
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CP0394589
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H40F3N7O6S
 4
1
EC50 = 42.66 nM
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2
EC50 = 57.54 nM
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3
EC50 = 123.03 nM
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4
EC50 = 933.25 nM
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CP0546132
N-[3-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]propyl]benzamide
   Show/Hide
C26H28N6O5
 2
1
EC50 = 45.71 nM
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2
EC50 = 169.82 nM
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CP0394586
(2S,3S,4R,5R)-5-[6-[6-[[4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]benzoyl]amino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
   Show/Hide
C43H43F3N8O6S
 2
1
EC50 = 56.23 nM
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2
EC50 = 97.72 nM
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CP0544796
N-[4-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]butyl]benzamide
   Show/Hide
C27H30N6O5
 2
1
EC50 = 58.88 nM
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2
EC50 = 309.03 nM
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CP0546130
N-[5-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]pent-4-ynyl]benzamide
   Show/Hide
C28H28N6O5
 2
1
EC50 = 61.66 nM
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2
EC50 = 223.87 nM
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CP0856535
2-Amino-N6-cyclohexyladenosine-5'-N-methylcarboxamide
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C17H25N7O4
 1
1
EC50 = 63.1 nM
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CP0884491
2-Amino-N6-cyclobutyladenosine-5'-N-methylcarboxamide
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C15H21N7O4
 1
1
EC50 = 63.1 nM
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CP0546140
[2-amino-5-[4-[1-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]triazol-4-yl]phenyl]-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
   Show/Hide
C42H40F3N9O5S
 2
1
EC50 = 72.44 nM
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2
EC50 = 4466.84 nM
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CP0394585
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[5-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pentyl]benzamide
   Show/Hide
C40H38F3N7O6S
 2
1
EC50 = 74.13 nM
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   LI
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2
EC50 = 95.5 nM
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CP0389136
N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]-4-[3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]benzamide
   Show/Hide
C34H35F3N6O5S
 2
1
EC50 = 77.62 nM
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2
EC50 = 169.82 nM
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CP0558697
4-[10-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]decylcarbamoyl]benzenesulfonyl fluoride
   Show/Hide
C27H37FN6O7S
 1
1
EC50 = 79.43 nM
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CP0558698
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(10-isothiocyanatodecylamino)purin-9-yl]oxolane-3,4-diol
   Show/Hide
C21H32N6O4S
 1
1
EC50 = 79.43 nM
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CP0389138
3-(4-benzoylthiophen-2-yl)-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C34H36N6O6S
 2
1
EC50 = 87.1 nM
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2
EC50 = 138.04 nM
   TI
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CP0408494
3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H40F3N7O6S
 2
1
EC50 = 93.33 nM
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2
EC50 = 104.71 nM
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CP0394590
4-[4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H39F3N6O6S
 2
1
EC50 = 109.65 nM
   TI
   LI
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2
EC50 = 562.34 nM
   TI
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CP0549807
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[3-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]propyl]benzamide
   Show/Hide
C44H38F3N7O6S
 2
1
EC50 = 109.65 nM
   TI
   LI
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2
EC50 = 1949.84 nM
   TI
   LI
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CP0394595
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[2-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H39ClF3N7O6S
 2
1
EC50 = 134.9 nM
   TI
   LI
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   TS
2
EC50 = 223.87 nM
   TI
   LI
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CP0478404
4-[5-acetamido-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C43H42F3N7O7S
 2
1
EC50 = 138.04 nM
   TI
   LI
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2
EC50 = 891.25 nM
   TI
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CP0444861
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-isothiocyanatoethylamino)purin-9-yl]oxolane-3,4-diol
   Show/Hide
C13H16N6O4S
 1
1
EC50 = 158.49 nM
   TI
   LI
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   TS
CP0546164
N-[5-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]pentyl]benzamide
   Show/Hide
C28H32N6O5
 2
1
EC50 = 158.49 nM
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   LI
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2
EC50 = 851.14 nM
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CP0444860
4-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylcarbamoyl]benzenesulfonyl fluoride
   Show/Hide
C23H29FN6O7S
 1
1
EC50 = 199.53 nM
   TI
   LI
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   TS
CP0575028
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[4-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]butyl]benzamide
   Show/Hide
C45H40F3N7O6S
 2
1
EC50 = 223.87 nM
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2
EC50 > 10000 nM
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CP0856534
2-Amino-N6-(3-iodobenzyl)adenosine-5'-N-methylcarboxamide
   Show/Hide
C18H20IN7O4
 1
1
EC50 = 251.19 nM
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CP0417389
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H41F3N8O6S
 2
1
EC50 = 257.04 nM
   TI
   LI
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2
EC50 = 1348.96 nM
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CP0546131
[2-amino-5-[4-[1-[7-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]heptyl]triazol-4-yl]phenyl]-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
   Show/Hide
C43H42F3N9O5S
 2
1
EC50 = 269.15 nM
   TI
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2
EC50 > 10000 nM
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CP0880308
2-Amino-N6-phenethyladenosine-5'-N-methylcarboxamide
   Show/Hide
C19H23N7O4
 1
1
EC50 = 316.23 nM
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CP0882232
2-Amino-N6-propyladenosine-5'-N-methylcarboxamide
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C14H21N7O4
 1
1
EC50 = 316.23 nM
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CP0884485
2-Amino-N6-(3-chlorobenzyl)adenosine-5'-N-methylcarboxamide
   Show/Hide
C18H20ClN7O4
 1
1
EC50 = 316.23 nM
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   TS
CP0544797
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[5-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]pent-4-ynyl]benzamide
   Show/Hide
C46H38F3N7O6S
 2
1
EC50 = 331.13 nM
   TI
   LI
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2
EC50 = 1819.7 nM
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CP0851043
2-Methylamino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
   Show/Hide
C17H25N7O4
 1
1
EC50 = 398.11 nM
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   TS
CP0884489
2-Amino-N6-(2,2-diphenylethyl)adenosine-5'-N-methylcarboxamide
   Show/Hide
C25H27N7O4
 1
1
EC50 = 398.11 nM
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CP0569985
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[3-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]prop-2-ynyl]benzamide
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C44H34F3N7O6S
 2
1
EC50 = 436.52 nM
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2
EC50 = 1412.54 nM
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CP0041258
(CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid
   Show/Hide
C23H29N7O6
 1
1
EC50 = 501.19 nM
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CP0880309
2-Ethylamino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
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C18H27N7O4
 1
1
EC50 = 501.19 nM
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CP0546136
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[4-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]but-3-ynyl]benzamide
   Show/Hide
C45H36F3N7O6S
 2
1
EC50 = 524.81 nM
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2
EC50 = 1778.28 nM
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CP0546135
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[2-[4-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]phenyl]ethyl]benzamide
   Show/Hide
C45H40F3N7O6S
 2
1
EC50 = 549.54 nM
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2
EC50 > 10000 nM
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CP0880307
2-Amino-N6-butyladenosine-5'-N-methylcarboxamide
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C15H23N7O4
 1
1
EC50 = 794.33 nM
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CP0544798
3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]propanamide
   Show/Hide
C37H40F3N7O6S
 2
1
EC50 = 1000 nM
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2
EC50 = 1071.52 nM
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CP0546137
3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[5-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pentyl]propanamide
   Show/Hide
C36H38F3N7O6S
 2
1
EC50 = 1047.13 nM
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2
EC50 = 1071.52 nM
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CP0389137
2-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexyl]benzamide
   Show/Hide
C41H40F3N7O6S
 2
1
EC50 = 1288.25 nM
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2
EC50 = 1348.96 nM
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CP0546574
3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[7-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]heptyl]propanamide
   Show/Hide
C38H42F3N7O6S
 2
1
EC50 = 1445.44 nM
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2
EC50 > 10000 nM
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CP0546138
4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-[5-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]pentyl]benzamide
   Show/Hide
C46H42F3N7O6S
 2
1
EC50 = 2238.72 nM
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2
EC50 > 10000 nM
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CP0856533
2-Amino-N6-ethyladenosine-5'-N-methylcarboxamide
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C13H19N7O4
 1
1
EC50 = 2511.89 nM
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CP0851044
2-Amino-N6-methyladenosine-5'-N-methylcarboxamide
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C12H17N7O4
 1
1
EC50 = 3981.07 nM
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CP0911591
2-Amino-N6-benzyladenosine-5'-N-methylcarboxamide
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C18H21N7O4
 1
1
EC50 = 6309.57 nM
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CP0856532
2-Diethylamino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
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C20H31N7O4
 1
1
EC50 > 10000 nM
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CP0856536
2-Dimethylamino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
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C18H27N7O4
 1
1
EC50 > 10000 nM
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CP0290978
ethyl 5-amino-3-(3-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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C15H12ClN3O3S
 1
1
Kd = 1.995 nM
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CP0209670
ethyl 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
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C15H13N3O3S
 1
1
Kd = 15.85 nM
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CP0543934
5-[5-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]pentanoylamino]-N-[3-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-3-oxopropyl]pentanamide
   Show/Hide
C57H66BF2N11O9S
 1
1
Kd = 33.88 nM
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CP0388187
ethyl 3-(4-acetyloxyphenyl)-5-amino-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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C17H15N3O5S
 1
1
Kd = 39.81 nM
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CP0455098
ethyl 5-amino-3-(4-hydroxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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C15H13N3O4S
 1
1
Kd = 39.81 nM
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CP0421242
ethyl 5-amino-3-(4-iodophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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C15H12IN3O3S
 1
1
Kd = 79.43 nM
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CP0128830
ethyl 5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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C16H15N3O4S
 1
1
Kd = 199.53 nM
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CP0868745
3-(4-(2-(6-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ylamino)butylamino)-6-oxohexylamino)-2-oxoethoxy)styryl)-5,5-difluoro-7-(thiophen-2-yl)-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide
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C43H48BF2N9O7S
 1
1
Kd = 588.84 nM
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CP0575002
(2S,3S,4R,5R)-5-[6-[4-[[2-[[(2R)-2-[[(2R)-2-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]propanoyl]amino]propanoyl]amino]acetyl]amino]butylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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C53H64BF2N13O10S
 1
1
Kd = 676.08 nM
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CP0855184
3-(4-(2-(6-(4-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-6-ylamino)butylamino)-6-oxohexylamino)-2-oxoethoxy)styryl)-5,5-difluoro-7-(thiophen-2-yl)-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide
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C45H51BF2N10O7S
 1
1
Kd = 1023.29 nM
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CP0534878
N-[2-[3-[3-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]propanoylamino]propanoylamino]ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carboxamide
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C57H70BF2N11O8S
 1
1
Ki = 0.2884 nM
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CP0955447
(1r,4r)-4-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexanol
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C18H20N4O
 1
1
Ki = 1.698 nM
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CP0577799
tert-butyl N-[3-[[3-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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C33H52N8O7
 1
1
Ki = 4.365 nM
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CP0573804
1-N-[3-[8-(1-adamantyl)-2,6-dioxo-1-propyl-7H-purin-3-yl]propyl]-4-N-[2-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]ethyl]benzene-1,4-dicarboxamide
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C60H67BF2N10O7S
 1
1
Ki = 5.888 nM
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CP0543974
tert-butyl N-[3-[[3-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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C35H56N8O7
 1
1
Ki = 7.762 nM
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CP0577849
5-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]-N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]pentanamide
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C49H52BF2N9O7S
 1
1
Ki = 9.333 nM
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CP0534879
1-N-[3-[8-(1-adamantyl)-2,6-dioxo-1-propyl-7H-purin-3-yl]propyl]-4-N-[2-[3-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]propanoylamino]ethyl]benzene-1,4-dicarboxamide
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C63H72BF2N11O8S
 1
1
Ki = 9.772 nM
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CP0570393
tert-butyl N-[2-[2-[2-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propanoylamino]ethylamino]-2-oxoethoxy]ethyl]carbamate
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C34H54N8O8
 1
1
Ki = 11.22 nM
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CP0534875
tert-butyl N-[3-[[3-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propylamino]-3-oxopropyl]amino]-3-oxopropyl]carbamate
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C34H54N8O7
 1
1
Ki = 12.88 nM
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CP0578721
tert-butyl N-[2-[2-[2-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
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C35H57N7O8
 1
1
Ki = 13.18 nM
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CP0551214
tert-butyl N-[2-[2-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-2-oxoethoxy]ethyl]carbamate
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C31H49N7O7
 1
1
Ki = 13.8 nM
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CP0573802
tert-butyl N-[2-[2-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-2-oxoethoxy]ethyl]carbamate
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C33H53N7O7
 1
1
Ki = 14.79 nM
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CP0534876
tert-butyl N-[2-[2-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propylamino]-2-oxoethoxy]ethyl]carbamate
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C32H51N7O7
 1
1
Ki = 16.22 nM
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CP0577801
tert-butyl N-[2-[2-[2-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
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C33H53N7O8
 1
1
Ki = 17.38 nM
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CP0573803
N-[2-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carboxamide
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C51H60BF2N9O6S
 1
1
Ki = 20.42 nM
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CP0568679
tert-butyl N-[2-[2-[2-[3-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]propylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
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C34H55N7O8
 1
1
Ki = 22.39 nM
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CP0534877
(2E)-1-[6-[[3-[[3-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
   Show/Hide
C60H80N10O12S2
 1
1
Ki = 199.53 nM
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CP0569669
(2E)-1-[6-[2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[2.2.2]octane-1-carbonyl]amino]ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
   Show/Hide
C54H70N8O10S2
 1
1
Ki = 851.14 nM
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CP0577803
(2E)-1-[6-[2-[[4-[3-[8-(1-adamantyl)-2,6-dioxo-1-propyl-7H-purin-3-yl]propylcarbamoyl]benzoyl]amino]ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
   Show/Hide
C63H77N9O11S2
 1
1
Ki > 10000 nM
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CP0577841
(2E)-1-[6-[[3-[2-[[4-[3-[8-(1-adamantyl)-2,6-dioxo-1-propyl-7H-purin-3-yl]propylcarbamoyl]benzoyl]amino]ethylamino]-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
   Show/Hide
C66H82N10O12S2
 1
1
Ki > 10000 nM
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