This page provides about 1200 protein-ligand binding datasets within the BindingDB collection that are designed to be useful for parameterizing or testing protein-ligand modeling codes. Each set has roughly 10-50 congeneric small molecules with a range of affinities for a single protein target, and at least one complex in each series has a structure in the PDB, as a basis for modeling the rest of the series.

Each row in the following table corresponds to one dataset and provides the article(s) from which the data were drawn, a freely downloadable SDfile with the compounds and data, and a link to preview the compounds on-line. No effort has been made to establish appropriate protonation or tautomer states of the compounds. The 3D SDfiles on this page provide conformations for the free molecules generated with the program Vconf.

These validation sets were regenerated January 2020 to take advantage of the increases in data holdings of both BindingDB and the PDB. There are now more data sets than before, and it is unlikely that any present set exactly matches any prior set. All of the prior sets are still available for view and download as a zip file here.

The present validation sets were generated as follows. We first identified every PDB protein-ligand cocrystal structure whose protein and ligand (HET group) exactly match a measurement in BindingDB. Then, for each of these PDBs, we we recovered all the other compounds in BindingDB with binding data for the protein and having a maximum common substructure (MCSS) with the HET group that encompassed at least 0.6 of the non-hydrogen atoms in the HET group, and that also had a Tanimoto similarity of at least 0.6 with the HET group. If these filters left five or fewer ligands, the set was discarded. This procedure generated an initial collection of validation sets. This initial collection was then condensed by merging any two sets if they had the same protein and if either HET ligand was the same as one of the non-HET BindingDB ligands in the other. MCSS was computed with the OpenEye API, and Tanimoto similarity indices were computed with JChem fingerprints.


  1. 1-deoxy-D-xylulose 5-phosphate reductoisomerase
  2. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  3. Set 1
    10/11
    54.0 - 6500000 nM
  4. 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)
  5. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  6. Set 2
    20/22
    1.10 - 17.0 nM
  7. Set 3
    21/30
    250 - 1000 nM
  8. 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
  9. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  10. Set 4
    14/17
    8.00 - 30000 nM
  11. Set 5
    19/23
    12.0 - 30000 nM
  12. Set 6
    16/21
    25.0 - 30000 nM
  13. 2'-deoxynucleoside 5'-phosphate N-hydrolase 1
  14. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  15. Set 7
    26/35
    500 - 93000 nM
  16. 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
  17. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  18. Set 8
    20/29
    70000 - 200000 nM
  19. 3',5'-cyclic phosphodiesterase
  20. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  21. Set 9
    21/34
    0.050 - 10000 nM
  22. Set 10
    20/32
    0.280 - 1000 nM
  23. 3-phosphoinositide dependent protein kinase-1
  24. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  25. Set 11
    25/37
    3.00 - 10000 nM
  26. Set 12
    24/29
    12.0 - 220 nM
  27. Set 13
    22/25
    40.0 - 7500 nM
  28. Set 14
    33/38
    1.70 - 190 nM
  29. Set 15
    13/35
    10.0 - 29000 nM
  30. Set 16
    23/35
    0.600 - 320 nM
  31. 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)
  32. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  33. Set 17
    20/27
    43.0 - 7500 nM
  34. 5-enolpyruvylshikimate-3-phosphate synthase
  35. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  36. Set 18
    13/23
    0.600 - 90000000 nM
  37. A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  38. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  39. Set 19
    21/26
    4.00 - 110 nM
  40. ABL
  41. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  42. Set 20
    19/28
    0.020 - 2100 nM
  43. Acetolactate synthase catalytic subunit, mitochondrial
  44. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  45. Set 21
    22/25
    3.30 - 400 nM
  46. Acetylcholine Binding protein
  47. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  48. Set 22
    13/14
    0.067 - 160 nM
  49. Acetylpolyamine amidohydrolase (APAH)
  50. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  51. Set 23
    9/12
    68.0 - 1800000 nM
  52. Adenosine kinase
  53. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  54. Set 24
    20/24
    0.100 - 20000 nM
  55. Adenosylhomocysteinase
  56. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  57. Set 25
    15/19
    1.00 - 9700 nM
  58. Alcohol dehydrogenase
  59. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  60. Set 26
    6/10
    1000 - 920000 nM
  61. Set 27
    8/12
    880 - 24000 nM
  62. Aldehyde dehydrogenase (ALDH2)
  63. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  64. Set 28
    12/18
    50.0 - 100000 nM
  65. Set 29
    21/35
    40.0 - 9000 nM
  66. Aldehyde dehydrogenase 1A1 (ALDH1A1)
  67. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  68. Set 30
    20/26
    240 - 20000 nM
  69. Aldo-keto reductase family 1 member C1
  70. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  71. Set 31
    11/17
    1.30 - 460 nM
  72. Aldo-keto reductase family 1 member C2
  73. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  74. Set 32
    14/17
    150 - 100000 nM
  75. Aldo-keto-reductase family 1 member C3
  76. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  77. Set 33
    18/23
    380 - 150000 nM
  78. Aldose Reductase (ALR2) Mutant (C298A/W219Y)
  79. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  80. Set 34
    10/10
    1000 - 170000 nM
  81. ALK tyrosine kinase receptor
  82. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  83. Set 35
    26/42
    0.120 - 35000 nM
  84. Set 36
    33/44
    3.00 - 1800 nM
  85. Set 37
    22/36
    0.168 - 2400 nM
  86. Alpha-galactosidase A
  87. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  88. Set 38
    10/15
    3.00 - 2000000 nM
  89. Alpha-glucosidase A (α-Gal A)
  90. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  91. Set 39
    9/15
    3.00 - 2000000 nM
  92. AMPK alpha2/beta1/gamma1
  93. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  94. Set 40
    20/27
    3.00 - 61.0 nM
  95. Anandamide amidohydrolase
  96. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  97. Set 41
    19/26
    0.800 - 10000 nM
  98. Androgen receptor
  99. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  100. Set 42
    20/28
    1.70 - 33000 nM
  101. Set 43
    19/23
    1.10 - 5000 nM
  102. Angiotensin-converting enzyme
  103. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  104. Set 44
    22/28
    1.40 - 340 nM
  105. Set 45
    12/16
    1.70 - 1000000000 nM
  106. Set 46
    28/40
    54.0 - 79000000 nM
  107. Set 47
    17/32
    0.800 - 850000 nM
  108. Set 48
    35/54
    0.400 - 1500 nM
  109. Apoptosis Signal-regulating Kinase 1 (ASK1)
  110. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  111. Set 49
    33/38
    6.30 - 110000 nM
  112. Set 50
    22/27
    6.30 - 870 nM
  113. Aromatase (CYP19)
  114. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  115. Set 51
    19/21
    1.00 - 500000 nM
  116. Set 52
    23/31
    7.00 - 44000 nM
  117. ATPase family AAA domain-containing protein 2
  118. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  119. Set 53
    15/37
    79.0 - 500000 nM
  120. Set 54
    14/17
    13000 - 500000 nM
  121. Aurora kinase A
  122. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  123. Set 55
    20/33
    1.00 - 260 nM
  124. Set 56
    18/36
    2.00 - 2200 nM
  125. Set 57
    17/23
    3.50 - 70.0 nM
  126. Set 58
    24/33
    0.600 - 6000 nM
  127. Set 59
    15/15
    470 - 3000 nM
  128. Set 60
    19/31
    0.300 - 1200 nM
  129. Set 61
    24/27
    71.2 - 150000 nM
  130. Axin-1/Glycogen synthase kinase-3 beta
  131. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  132. Set 62
    19/21
    4.00 - 1500 nM
  133. B-N-acetylhexosaminidase
  134. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  135. Set 63
    18/19
    100000 - 2000000 nM
  136. Beta-galactosidase
  137. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  138. Set 64
    10/13
    180 - 150000 nM
  139. Beta-glucuronidase (EcGUS)
  140. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  141. Set 65
    26/28
    160 - 1900 nM
  142. Beta-ketoacyl-ACP synthase (KasA) C171Q
  143. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  144. Set 66
    13/14
    14000 - 400000 nM
  145. beta-Ketoacyl-ACP Synthase III (FabH)
  146. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  147. Set 67
    26/27
    1600 - 160000 nM
  148. Beta-lactamase AmpC
  149. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  150. Set 68
    17/18
    1000 - 93000 nM
  151. Set 69
    26/30
    11000 - 17000 nM
  152. Set 70
    9/11
    2900 - 100000 nM
  153. Beta-mannosidase
  154. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  155. Set 71
    18/18
    57.0 - 2400 nM
  156. beta-Secretase (BACE-1)
  157. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  158. Set 72
    31/38
    26.0 - 11000 nM
  159. Set 73
    30/51
    0.800 - 20000 nM
  160. Beta-secretase 1
  161. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  162. Set 74
    23/37
    24.0 - 57000 nM
  163. Set 75
    18/29
    26.0 - 100000 nM
  164. Set 76
    15/30
    0.200 - 140000 nM
  165. Set 77
    17/32
    0.200 - 45000 nM
  166. Set 78
    22/65
    0.140 - 200000 nM
    US9096541 Bioorg Med Chem Lett 2008 18:3236-41 Bioorg Med Chem 2009 17:1600-13 Bioorg Med Chem Lett 2008 18:418-22 Bioorg Med Chem Lett 2010 20:4789-94 Bioorg Med Chem Lett 2010 20:6231-6 Bioorg Med Chem Lett 2008 18:1643-7 J Med Chem 2009 52:6484-8 Bioorg Med Chem Lett 2010 20:6034-9 Bioorg Med Chem Lett 2009 19:2654-60 Bioorg Med Chem Lett 2011 21:6909-15 J Med Chem 2007 50:776-81 Bioorg Med Chem Lett 2007 17:823-7 Bioorg Med Chem 2010 18:3088-115 Bioorg Med Chem Lett 2009 19:6386-91 Bioorg Med Chem Lett 2017 27:2432-2438 Bioorg Med Chem Lett 2008 19:264-74 Bioorg Med Chem Lett 2011 21:1942-7 Bioorg Med Chem Lett 2006 17:73-7 Bioorg Med Chem Lett 2004 14:4843-6 J Med Chem 2004 47:158-64 Bioorg Med Chem Lett 2008 18:414-7 Bioorg Med Chem Lett 2010 20:2837-42 Bioorg Med Chem Lett 2007 17:3378-83 J Med Chem 2012 55:9331-45 J Med Chem 2012 55:9195-207 Bioorg Med Chem Lett 2008 18:1017-21 Bioorg Med Chem Lett 2011 21:6916-24 Bioorg Med Chem Lett 2008 18:1022-6 Bioorg Med Chem Lett 2010 20:603-7 Bioorg Med Chem Lett 2011 21:3992-6 Bioorg Med Chem Lett 2008 18:1031-6 Bioorg Med Chem 2015 23:1963-74 Bioorg Med Chem Lett 2006 16:3635-8 J Med Chem 2008 51:3313-7 Bioorg Med Chem Lett 2006 16:641-4 J Med Chem 2006 49:6147-50 Bioorg Med Chem 2010 18:1711-23 Bioorg Med Chem Lett 2009 19:3664-8 J Med Chem 2007 50:2399-407 Bioorg Med Chem 2008 16:9471-86 Eur J Med Chem 2010 45:542-54 Bioorg Med Chem Lett 2010 20:4639-44 Bioorg Med Chem Lett 2008 18:1011-6 Bioorg Med Chem 2012 20:4377-89 J Med Chem 2006 49:7270-3 J Med Chem 2012 55:10749-65 Bioorg Med Chem Lett 2010 21:358-62 Bioorg Med Chem Lett 2009 19:3669-73 US8703947 Eur J Med Chem 2010 45:870-82 Eur J Med Chem 2017 125:676-695 Bioorg Med Chem Lett 2010 20:1885-9 J Med Chem 2006 49:839-42 Bioorg Med Chem Lett 2010 20:1924-7 Bioorg Med Chem Lett 2006 17:78-81 J Med Chem 2012 55:3364-86 Bioorg Med Chem Lett 2008 18:2900-4 J Med Chem 2010 53:1458-64 Bioorg Med Chem Lett 2003 13:4273-6 Bioorg Med Chem Lett 2004 14:1527-31 Bioorg Med Chem Lett 2004 15:211-5 Bioorg Med Chem 2016 24:3276-82 Bioorg Med Chem Lett 2009 19:1366-70 J Med Chem 2004 47:5791-7 J Med Chem 2012 55:1303-17 J Med Chem 2009 52:2163-76 J Med Chem 2001 44:2039-60 J Med Chem 2003 46:2074-82 J Med Chem 2011 54:3081-5 J Med Chem 2005 48:5175-90 J Med Chem 2003 46:1799-802 J Med Chem 2015 58:5408-18 Bioorg Med Chem Lett 2015 25:668-72 J Med Chem 2002 45:259-62 J Med Chem 2011 54:1961-2004 Bioorg Med Chem Lett 2003 14:239-43 Bioorg Med Chem Lett 2003 14:245-50 Bioorg Med Chem Lett 2003 13:4335-9
  167. Set 79
    25/41
    26.0 - 70000 nM
  168. Set 80
    36/58
    0.800 - 89000 nM
  169. Set 81
    22/42
    0.800 - 200000 nM
  170. Set 82
    33/54
    0.140 - 63000 nM
  171. Set 83
    34/48
    4.40 - 1100 nM
  172. Set 84
    18/34
    78.0 - 7200 nM
  173. Set 85
    19/28
    30.0 - 29000 nM
  174. Set 86
    18/27
    0.358 - 52000 nM
  175. Set 87
    14/27
    1.00 - 86000000 nM
  176. Set 88
    21/22
    22.0 - 30000 nM
  177. Set 89
    23/26
    26.0 - 30000 nM
  178. Set 90
    17/19
    9.90 - 8700 nM
  179. Set 91
    21/40
    3.00 - 78000 nM
  180. Set 92
    24/39
    55.0 - 24000 nM
  181. Set 93
    36/55
    1.20 - 10000 nM
  182. Set 94
    24/28
    140 - 8300 nM
  183. Set 95
    16/28
    4600 - 2000000 nM
  184. Set 96
    15/24
    190 - 190000 nM
  185. Set 97
    18/18
    470 - 35000 nM
  186. Set 98
    25/33
    40.0 - 5200 nM
  187. Set 99
    15/24
    54000 - 2900000 nM
  188. Set 100
    20/26
    7000 - 1000000 nM
  189. Set 101
    21/44
    50.0 - 100000 nM
  190. Set 102
    14/27
    4000 - 1400000 nM
  191. Set 103
    28/33
    100 - 99000 nM
  192. Set 104
    23/28
    170 - 640000 nM
  193. Set 105
    21/24
    2800 - 640000 nM
  194. Set 106
    25/33
    7.50 - 360 nM
  195. Bifunctional protein (GlmU)
  196. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  197. Set 107
    19/34
    10.0 - 200000 nM
  198. Bile acid receptor
  199. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  200. Set 108
    22/37
    4.00 - 35000 nM
  201. Set 109
    26/40
    2.50 - 2900 nM
  202. Biotin ligase
  203. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  204. Set 110
    24/26
    1200 - 12000 nM
  205. Breakpoint cluster region protein /Tyrosine-protein kinase ABL
  206. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  207. Set 111
    26/43
    2.20 - 100000 nM
  208. Bromodomain adjacent to zinc finger domain protein 2B
  209. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  210. Set 112
    20/26
    180 - 50000 nM
  211. Set 113
    18/25
    370 - 30000 nM
  212. Bromodomain-containing protein 4
  213. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  214. Set 114
    21/32
    500 - 100000 nM
  215. Set 115
    12/12
    24000 - 51000 nM
  216. Set 116
    19/30
    130 - 74000 nM
  217. Set 117
    19/29
    240 - 9200 nM
  218. Set 118
    15/27
    230 - 10000 nM
  219. Bromodomain-containing protein 9
  220. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  221. Set 119
    21/31
    7.90 - 5000 nM
  222. Calcitonin gene-related peptide type 1 receptor
  223. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  224. Set 120
    36/56
    0.005 - 10000 nM
  225. Set 121
    28/42
    1.90 - 9900 nM
  226. CAM-RNase A
  227. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  228. Set 122
    18/27
    27.0 - 840000 nM
  229. cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  230. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  231. Set 123
    19/30
    0.021 - 420 nM
  232. Set 124
    22/32
    0.056 - 690 nM
  233. Set 125
    24/36
    0.024 - 1100 nM
  234. Set 126
    15/25
    0.400 - 11000 nM
  235. Set 127
    15/23
    68.0 - 10000 nM
  236. Set 128
    20/24
    0.220 - 530 nM
  237. Set 129
    18/37
    0.080 - 2400 nM
  238. Set 130
    27/30
    0.056 - 6200 nM
  239. Set 131
    17/24
    0.500 - 120 nM
  240. Set 132
    15/27
    0.800 - 270 nM
  241. Set 133
    20/31
    0.800 - 16000 nM
  242. Set 134
    22/28
    1.00 - 4000 nM
  243. Set 135
    15/25
    14.0 - 10000 nM
  244. Set 136
    18/30
    2.60 - 350000 nM
  245. cAMP-specific 3',5'-cyclic phosphodiesterase 4D
  246. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  247. Set 137
    14/21
    0.051 - 1000000 nM
  248. Set 138
    21/33
    1.00 - 3800 nM
  249. Carbonic anhydrase
  250. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  251. Set 139
    19/25
    250 - 400000 nM
  252. Set 140
    17/27
    1.10 - 200000 nM
  253. Set 141
    16/20
    500 - 2600 nM
  254. Carbonic anhydrase 1
  255. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  256. Set 142
    11/12
    62.0 - 79000000 nM
  257. Set 143
    13/20
    0.050 - 9100 nM
  258. Set 144
    14/18
    0.050 - 30000 nM
  259. Set 145
    10/14
    4.50 - 40000 nM
  260. Carbonic anhydrase 12
  261. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  262. Set 146
    10/14
    40.0 - 13000 nM
  263. Carbonic anhydrase 2
  264. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  265. Set 147
    10/12
    4.00 - 320000 nM
  266. Set 148
    11/15
    9.00 - 320000 nM
  267. Set 149
    11/14
    0.001 - 430000 nM
  268. Set 150
    12/23
    0.001 - 160000 nM
  269. Set 151
    11/14
    0.400 - 19000 nM
  270. Set 152
    18/24
    0.200 - 9000 nM
  271. Set 153
    13/14
    0.300 - 30000 nM
  272. Set 154
    12/25
    0.500 - 36000 nM
  273. Set 155
    13/20
    0.140 - 9000 nM
  274. Set 156
    19/22
    10.0 - 25000 nM
  275. Set 157
    12/20
    1.50 - 10000 nM
  276. Set 158
    13/26
    0.210 - 10000 nM
  277. Set 159
    13/20
    3.60 - 4600 nM
  278. Set 160
    16/22
    24.0 - 12000 nM
  279. Set 161
    11/16
    3.90 - 190 nM
  280. Set 162
    11/13
    3.90 - 190 nM
  281. Set 163
    14/19
    0.800 - 42.0 nM
  282. Set 164
    19/30
    0.080 - 5.58 nM
  283. Set 165
    21/32
    5.00 - 1500 nM
  284. Set 166
    17/21
    8.00 - 6800 nM
  285. Set 167
    22/25
    68.0 - 300000 nM
  286. Set 168
    12/19
    47.0 - 860 nM
  287. Set 169
    17/21
    1.00 - 650 nM
  288. Set 170
    12/21
    0.300 - 9600 nM
  289. Set 171
    15/25
    0.930 - 5000 nM
  290. Set 172
    19/23
    0.300 - 9600 nM
  291. Set 173
    9/11
    470 - 11000000 nM
  292. Set 174
    22/23
    0.880 - 60.5 nM
  293. Set 175
    7/8
    540 - 750000 nM
  294. Set 176
    12/15
    6500 - 6000000 nM
  295. Set 177
    8/15
    4.70 - 10000 nM
  296. Set 178
    11/11
    520 - 540000 nM
  297. Set 179
    10/25
    0.001 - 9100000 nM
  298. Set 180
    16/22
    8.80 - 2200 nM
  299. Set 181
    20/57
    4.60 - 20000 nM
  300. Set 182
    23/23
    19.0 - 40.0 nM
  301. Set 183
    22/24
    12.0 - 40.0 nM
  302. Set 184
    16/25
    0.590 - 200000 nM
  303. Set 185
    15/22
    5.70 - 10000 nM
  304. Set 186
    9/10
    90.0 - 200000 nM
  305. Set 187
    17/27
    7.00 - 220 nM
  306. Set 188
    11/12
    100000 - 200000 nM
  307. Set 189
    17/23
    18.0 - 560 nM
  308. Set 190
    15/24
    26.0 - 1800 nM
  309. Set 191
    15/23
    26.0 - 520 nM
  310. Set 192
    15/15
    3700 - 130000 nM
  311. Set 193
    17/27
    12.0 - 79.0 nM
  312. Set 194
    17/21
    16.0 - 200 nM
  313. Set 195
    22/23
    16.0 - 210 nM
  314. Set 196
    13/13
    2.60 - 100 nM
  315. Set 197
    13/13
    3.00 - 210 nM
  316. Set 198
    8/9
    14000 - 10000000 nM
  317. Carbonic anhydrase 4
  318. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  319. Set 199
    19/25
    23.0 - 5000 nM
  320. Carbonic Anhydrase II Mutant (F131V)
  321. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  322. Set 200
    20/23
    1.60 - 5.60 nM
  323. Carbonic Anhydrase XIV
  324. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  325. Set 201
    16/25
    0.410 - 16.0 nM
  326. Carbonic anhydrases; II & IX
  327. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  328. Set 202
    11/16
    8.99 - 290000 nM
  329. Set 203
    10/10
    9.00 - 36000 nM
  330. Set 204
    13/19
    0.200 - 7900 nM
  331. Set 205
    11/12
    40.0 - 78000 nM
  332. Set 206
    13/16
    0.300 - 30000 nM
  333. Set 207
    14/21
    0.140 - 160 nM
  334. Set 208
    19/25
    10.0 - 13000 nM
  335. Set 209
    13/21
    0.300 - 9600 nM
  336. Set 210
    16/23
    8.90 - 100000 nM
  337. Set 211
    18/23
    2.70 - 17000 nM
  338. Set 212
    10/13
    0.001 - 1100000 nM
    Bioorg Med Chem Lett 2009 19:3170-3 Bioorg Med Chem Lett 2011 21:5892-6 Bioorg Med Chem Lett 2004 14:5427-33 Bioorg Med Chem Lett 2010 21:141-4 Bioorg Med Chem Lett 2000 10:1117-20 J Med Chem 2008 51:3051-6 Bioorg Med Chem 2014 22:2867-74 Bioorg Med Chem Lett 2015 25:2377-81 J Med Chem 2002 45:312-20 J Med Chem 2012 55:6776-83 J Med Chem 1994 37:2100-5 Bioorg Med Chem Lett 2002 12:1551-7 Bioorg Med Chem Lett 2005 15:3821-7 J Med Chem 2006 49:2117-26 Bioorg Med Chem 2012 20:2392-404 J Med Chem 1991 34:3098-105 J Med Chem 1999 42:3690-700 J Med Chem 2016 59:721-32 Eur J Med Chem 2017 127:691-702 J Med Chem 2002 45:1466-76 J Med Chem 2006 49:5544-51 Bioorg Med Chem 2010 18:5081-9 J Med Chem 2015 58:8564-72 J Med Chem 2008 51:1945-53 J Med Chem 2012 55:3513-20 Bioorg Med Chem 2007 15:4336-50 J Med Chem 2011 54:3977-81 J Enzyme Inhib Med Chem 2009 24:499-505 ACS Med Chem Lett 2014 5:826-30 J Med Chem 2000 43:4542-51 Bioorg Med Chem Lett 2004 14:5781-6 Bioorg Med Chem Lett 2005 15:3102-8 Bioorg Med Chem Lett 2013 23:3496-9 Bioorg Med Chem 2017 25:1666-1671 Bioorg Med Chem 2013 21:1522-5 Bioorg Med Chem 2014 22:5883-90 J Med Chem 2004 47:1272-9 J Med Chem 2000 43:3677-87 Bioorg Med Chem 2017 25:1260-1265 Bioorg Med Chem Lett 2010 20:3089-93 J Med Chem 2009 52:4853-9 J Med Chem 2013 56:1761-71 Bioorg Med Chem Lett 2013 23:715-9 Bioorg Med Chem Lett 2005 15:4862-6 Bioorg Med Chem Lett 2009 19:6014-7 Bioorg Med Chem Lett 2011 21:2521-6 Bioorg Med Chem 2013 21:2093-106 Bioorg Med Chem Lett 2014 24:3422-5 Bioorg Med Chem 2010 18:4468-74 Bioorg Med Chem 2015 23:7353-8 Bioorg Med Chem 2013 21:1555-63
  339. Set 213
    17/27
    0.590 - 200000 nM
  340. Set 214
    15/20
    26.0 - 520 nM
  341. Carboxypeptidase B
  342. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  343. Set 215
    9/12
    2.60 - 30000 nM
  344. Casein kinase I isoform delta
  345. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  346. Set 216
    17/28
    15.0 - 4900 nM
  347. Set 217
    19/24
    42.0 - 550 nM
  348. Set 218
    17/19
    500 - 81000 nM
  349. Caspase-1
  350. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  351. Set 219
    23/37
    5.00 - 2100 nM
  352. Caspase-3
  353. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  354. Set 220
    31/40
    0.005 - 9400 nM
  355. Set 221
    17/18
    1100 - 97000 nM
  356. Set 222
    35/39
    26.0 - 200 nM
  357. Catechol-O-methyltransferase
  358. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  359. Set 223
    12/13
    16.0 - 700000 nM
  360. Cathepsin (B and K)
  361. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  362. Set 224
    14/14
    140000 - 430000 nM
  363. Cathepsin A (CTSA)
  364. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  365. Set 225
    26/37
    3.00 - 30000 nM
  366. Cathepsin B
  367. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  368. Set 226
    21/37
    23.0 - 68000 nM
  369. Set 227
    16/22
    23.0 - 15000 nM
  370. Cathepsin D
  371. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  372. Set 228
    16/40
    8.60 - 29000 nM
  373. Set 229
    40/53
    0.700 - 5000 nM
  374. Cathepsin G
  375. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  376. Set 230
    27/45
    38.0 - 1300 nM
  377. Cathepsin K
  378. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  379. Set 231
    18/23
    0.015 - 990 nM
  380. Set 232
    25/30
    3.00 - 100000 nM
  381. Set 233
    17/26
    0.064 - 16000 nM
  382. Set 234
    30/39
    0.010 - 10000 nM
  383. Set 235
    13/18
    0.560 - 100000 nM
  384. Set 236
    15/24
    0.130 - 710 nM
  385. Set 237
    22/28
    0.210 - 4900 nM
  386. Set 238
    32/37
    0.646 - 460000 nM
  387. Set 239
    16/18
    23.0 - 80.0 nM
  388. Set 240
    17/32
    1.00 - 4100 nM
  389. Set 241
    19/28
    38.0 - 12000 nM
  390. Set 242
    21/30
    11.5 - 10000 nM
  391. Set 243
    38/54
    1.30 - 1000 nM
  392. Cathepsin S
  393. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  394. Set 244
    18/29
    0.800 - 2900 nM
  395. Set 245
    31/33
    1.00 - 12000 nM
  396. Set 246
    19/31
    0.500 - 340000 nM
  397. Set 247
    15/18
    11.0 - 10000 nM
  398. Cdc7 Kinase
  399. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  400. Set 248
    10/16
    2.00 - 5000 nM
  401. CDK2/CycE
  402. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  403. Set 249
    19/28
    2.00 - 1000 nM
  404. Set 250
    19/23
    3.00 - 5500 nM
  405. Set 251
    18/26
    2.00 - 5600 nM
  406. Set 252
    17/25
    12.0 - 750 nM
  407. Set 253
    18/31
    33.0 - 100000 nM
  408. Set 254
    23/33
    1.00 - 100000 nM
  409. Set 255
    19/31
    7.00 - 3700 nM
  410. Set 256
    19/29
    2.00 - 260 nM
  411. Set 257
    17/28
    1.00 - 25000 nM
  412. Set 258
    20/32
    0.050 - 250000 nM
  413. Set 259
    18/30
    4.00 - 100000 nM
  414. Set 260
    25/30
    250 - 20000 nM
  415. Set 261
    26/28
    26.0 - 2500 nM
  416. Set 262
    16/25
    550 - 250000 nM
  417. Set 263
    19/21
    10.0 - 7500 nM
  418. Set 264
    16/20
    3.00 - 100000 nM
  419. Set 265
    22/31
    1.00 - 10000 nM
  420. Set 266
    13/22
    0.200 - 100000 nM
  421. CDK2/Cyclin A/Cyclin A1
  422. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  423. Set 267
    14/15
    550 - 100000 nM
  424. Set 268
    14/26
    3.00 - 97000 nM
  425. Set 269
    19/30
    0.110 - 100000 nM
  426. CDK2/Cyclin E/G1/S-specific cyclin E2
  427. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  428. Set 270
    14/22
    0.070 - 250000 nM
  429. CDK6/G1/S-specific cyclin D3
  430. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  431. Set 271
    29/35
    26.0 - 1100 nM
  432. Cellular retinoic acid-binding protein I
  433. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  434. Set 272
    15/22
    0.300 - 10000 nM
  435. cGMP-specific 3',5'-cyclic phosphodiesterase
  436. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  437. Set 273
    22/31
    0.050 - 10000 nM
  438. Set 274
    22/31
    0.220 - 88000 nM
  439. Choline kinase alpha
  440. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  441. Set 275
    15/32
    66.0 - 5000 nM
  442. Cholinesterases
  443. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  444. Set 276
    17/19
    16.0 - 100000 nM
  445. Set 277
    21/34
    1.00 - 23000 nM
  446. Set 278
    29/38
    1.00 - 100000 nM
  447. Clathrin heavy chain 1
  448. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  449. Set 279
    20/27
    6900 - 120000 nM
  450. Coagulation factor III/Factor VIIa (fVIIa)
  451. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  452. Set 280
    29/42
    0.350 - 8100 nM
  453. Set 281
    29/49
    0.240 - 54000 nM
  454. Set 282
    28/39
    8.00 - 2400 nM
  455. Coagulation factor VII
  456. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  457. Set 283
    21/41
    1.30 - 350 nM
  458. Set 284
    22/32
    28.0 - 750 nM
  459. Set 285
    30/40
    7.00 - 190000 nM
  460. Set 286
    25/29
    1.00 - 39000 nM
  461. Set 287
    25/36
    0.078 - 16000 nM
  462. Set 288
    21/27
    1.30 - 130000 nM
  463. Set 289
    30/43
    1.70 - 30000 nM
  464. Set 290
    29/32
    1.30 - 8100 nM
  465. Set 291
    25/39
    1.70 - 1800 nM
  466. Set 292
    26/38
    0.620 - 8800 nM
  467. Coagulation factor X
  468. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  469. Set 293
    25/35
    0.070 - 3000 nM
  470. Set 294
    20/37
    1.00 - 17000 nM
  471. Set 295
    19/38
    0.510 - 39000 nM
  472. Set 296
    20/33
    1.00 - 39000 nM
  473. Set 297
    19/35
    0.020 - 22000 nM
  474. Set 298
    21/35
    0.020 - 1700 nM
  475. Set 299
    33/36
    11.0 - 340 nM
  476. Set 300
    20/29
    0.800 - 2800 nM
  477. Set 301
    20/28
    48.0 - 1200 nM
  478. Set 302
    26/36
    0.400 - 4400 nM
  479. Set 303
    23/44
    0.005 - 30000 nM
  480. Set 304
    22/35
    10.0 - 10000 nM
  481. Set 305
    23/36
    0.004 - 5000 nM
  482. Set 306
    25/38
    0.100 - 55000 nM
  483. Set 307
    29/39
    2.00 - 34000 nM
  484. Set 308
    21/40
    0.430 - 10000 nM
  485. Set 309
    23/35
    7.80 - 10000 nM
  486. Set 310
    20/32
    0.270 - 12000 nM
  487. Set 311
    26/37
    0.210 - 7400 nM
  488. Set 312
    27/39
    3.70 - 17000 nM
  489. Set 313
    19/32
    0.380 - 10000 nM
  490. Set 314
    22/36
    0.380 - 690 nM
  491. Set 315
    29/38
    0.200 - 3.40 nM
  492. Set 316
    29/42
    1.10 - 3.40 nM
  493. Set 317
    18/30
    0.700 - 130000 nM
  494. Set 318
    24/40
    0.020 - 4000 nM
  495. Coagulation factor XI
  496. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  497. Set 319
    25/46
    0.300 - 2400 nM
  498. Collagenase
  499. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  500. Set 320
    20/32
    0.200 - 17000 nM
  501. Set 321
    24/28
    72.0 - 6600 nM
  502. Set 322
    24/36
    0.400 - 220 nM
  503. Set 323
    23/35
    0.300 - 1100 nM
  504. Set 324
    23/34
    2.00 - 50000 nM
  505. Set 325
    20/33
    0.002 - 10000 nM
  506. Set 326
    24/34
    10.0 - 10000 nM
  507. Set 327
    26/38
    0.200 - 2.00 nM
  508. Set 328
    22/32
    0.160 - 530 nM
  509. Set 329
    26/28
    0.400 - 12.0 nM
  510. Set 330
    22/32
    14.0 - 56000 nM
  511. Set 331
    14/18
    2400 - 500000 nM
  512. Set 332
    17/28
    0.050 - 3900 nM
  513. Set 333
    20/33
    10.2 - 10000 nM
  514. CREB-binding protein
  515. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  516. Set 334
    24/34
    21.0 - 11000 nM
  517. Set 335
    20/30
    40.0 - 10000 nM
  518. Set 336
    12/14
    160 - 2000000 nM
  519. Set 337
    19/22
    100 - 5000 nM
  520. Set 338
    15/24
    93.0 - 20000 nM
  521. Set 339
    15/24
    1000 - 64000 nM
  522. Set 340
    19/19
    6600 - 17000 nM
  523. Set 341
    15/19
    770 - 87000 nM
  524. Cruzipain
  525. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  526. Set 342
    22/23
    210 - 65000 nM
  527. Set 343
    20/22
    13.0 - 40.0 nM
  528. Cyclin-dependent kinase 2
  529. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  530. Set 344
    22/28
    3.00 - 300000 nM
  531. Set 345
    17/24
    3.00 - 26000 nM
  532. Set 346
    23/30
    2.00 - 10000 nM
  533. Set 347
    18/21
    10000 - 250000 nM
  534. Set 348
    23/27
    5.00 - 2200 nM
  535. Set 349
    21/27
    75.0 - 4400 nM
  536. Set 350
    22/31
    7.00 - 100000 nM
  537. Set 351
    19/26
    15.0 - 10000 nM
  538. Set 352
    28/37
    10000 - 40000 nM
  539. Set 353
    15/25
    5.00 - 100000 nM
  540. Set 354
    12/25
    1.10 - 100000 nM
  541. Set 355
    21/22
    180 - 25000 nM
  542. Set 356
    11/23
    2.00 - 100000 nM
  543. Set 357
    15/17
    39.0 - 5400 nM
  544. Set 358
    20/23
    10.0 - 7500 nM
  545. Set 359
    19/28
    0.100 - 250000 nM
  546. Set 360
    18/30
    200 - 100000 nM
  547. Set 361
    22/23
    3.00 - 100000 nM
  548. Set 362
    20/34
    0.300 - 10000 nM
  549. Set 363
    22/32
    1.20 - 100000 nM
  550. Set 364
    18/25
    1.90 - 100000 nM
  551. Set 365
    14/23
    0.200 - 100000 nM
  552. Set 366
    16/18
    0.300 - 25000 nM
  553. Set 367
    22/26
    2.00 - 20000 nM
  554. Set 368
    18/27
    0.200 - 5000 nM
  555. Set 369
    14/22
    5.00 - 10000 nM
  556. Cyclin-Dependent Kinase 2 (CDK2)
  557. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  558. Set 370
    15/35
    2.00 - 300000 nM
  559. Set 371
    18/23
    10.0 - 13000 nM
  560. Set 372
    24/33
    4.10 - 110000 nM
  561. Set 373
    18/24
    30.0 - 150000 nM
  562. Set 374
    14/14
    730 - 85000 nM
  563. Set 375
    16/26
    3.00 - 85000 nM
  564. Set 376
    29/40
    1.70 - 10000 nM
  565. Set 377
    17/23
    140 - 1800 nM
  566. Set 378
    15/27
    5.00 - 100000 nM
  567. Set 379
    17/27
    5.00 - 7400 nM
  568. Set 380
    16/25
    1.00 - 25000 nM
  569. Set 381
    17/27
    0.050 - 250000 nM
  570. Set 382
    18/23
    2.00 - 100000 nM
  571. Set 383
    18/26
    0.540 - 10000 nM
  572. Set 384
    17/20
    0.520 - 100000 nM
  573. Cyclin-Dependent Kinase 5 (CDK5)
  574. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  575. Set 385
    18/18
    330 - 10000 nM
  576. Cyclin-dependent kinase 6
  577. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  578. Set 386
    21/33
    0.360 - 10000 nM
  579. Cyclin-Dependent Kinase 6 (CDK6)
  580. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  581. Set 387
    18/21
    1700 - 300000 nM
  582. Cyclin-dependent kinase 8
  583. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  584. Set 388
    23/30
    1.60 - 700 nM
  585. Set 389
    21/31
    1.90 - 700 nM
  586. Cyclin-dependent kinase 9
  587. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  588. Set 390
    14/16
    280 - 26000 nM
  589. Cyclin-Dependent Kinase 9 (CDK9)
  590. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  591. Set 391
    23/29
    2.10 - 300 nM
  592. Cytochrome P450 17A1
  593. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  594. Set 392
    18/30
    1.00 - 4000 nM
  595. Set 393
    24/33
    7.00 - 260000 nM
  596. Cytochrome P450 19A1
  597. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  598. Set 394
    18/25
    1.40 - 1200000 nM
  599. Cytochrome P450 1A
  600. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  601. Set 395
    16/21
    1.80 - 4000 nM
  602. Set 396
    16/21
    14.0 - 20000 nM
  603. Cytochrome P450 3A
  604. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  605. Set 397
    40/66
    2900 - 61000 nM
  606. Set 398
    28/37
    4.00 - 80000 nM
  607. Cytohesin-2
  608. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  609. Set 399
    17/19
    540000 - 5100000 nM
  610. D-alanyl-D-alanine carboxypeptidase
  611. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  612. Set 400
    13/14
    4200 - 510000 nM
  613. D-amino-acid oxidase
  614. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  615. Set 401
    10/16
    44.0 - 350 nM
  616. Set 402
    11/11
    1400 - 6000 nM
  617. Set 403
    11/12
    3.00 - 26000 nM
  618. Death-associated protein kinase 1
  619. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  620. Set 404
    33/38
    1.40 - 10000 nM
  621. Set 405
    15/21
    8900 - 300000 nM
  622. Dehydrosqualene synthase
  623. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  624. Set 406
    18/22
    40.0 - 300000 nM
  625. Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)
  626. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  627. Set 407
    24/34
    280 - 9400 nM
  628. Set 408
    16/26
    130 - 20000 nM
  629. Dihydrofolate reductase
  630. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  631. Set 409
    21/42
    0.000 - 50000 nM
  632. Set 410
    13/21
    0.800 - 600000 nM
  633. Set 411
    15/21
    0.010 - 420000 nM
  634. Set 412
    16/31
    45.0 - 7200 nM
  635. Set 413
    28/33
    21.0 - 79.0 nM
  636. Set 414
    30/36
    11.0 - 22000 nM
  637. Set 415
    22/22
    3900 - 52000 nM
  638. Set 416
    20/22
    6400 - 110000 nM
  639. Set 417
    14/27
    0.190 - 31000 nM
  640. Set 418
    30/33
    2.70 - 20000 nM
  641. Set 419
    14/22
    4.60 - 160000 nM
  642. Dihydrofolate Reductase (DHFR)
  643. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  644. Set 420
    17/26
    0.020 - 15.3 nM
  645. Set 421
    22/30
    0.002 - 4.20 nM
  646. Set 422
    20/33
    0.000 - 21000 nM
  647. Set 423
    15/31
    0.097 - 63000 nM
  648. Set 424
    26/27
    2.40 - 7.00 nM
  649. Set 425
    19/28
    0.550 - 2700 nM
  650. Set 426
    19/23
    940 - 35000 nM
  651. Set 427
    18/28
    2.40 - 410 nM
  652. Set 428
    15/25
    2.50 - 120000 nM
  653. Set 429
    20/31
    38.0 - 280000 nM
  654. Set 430
    22/30
    260 - 40000 nM
  655. Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  656. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  657. Set 431
    14/17
    14.0 - 60000 nM
  658. Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  659. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  660. Set 432
    14/17
    300 - 50000 nM
  661. Dihydrolipoyl dehydrogenase (Lpd)
  662. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  663. Set 433
    16/25
    37.0 - 100000 nM
  664. Dihydroorotate dehydrogenase
  665. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  666. Set 434
    15/22
    22.0 - 87000 nM
  667. Set 435
    16/19
    2700 - 50000 nM
  668. Set 436
    19/28
    1.00 - 310000 nM
  669. Set 437
    22/27
    1.00 - 1000 nM
  670. Set 438
    23/30
    4.00 - 8400 nM
  671. Set 439
    18/24
    3700 - 100000 nM
  672. Set 440
    17/26
    2700 - 200000 nM
  673. Set 441
    16/24
    18.0 - 10000 nM
  674. Set 442
    15/20
    890 - 10000 nM
  675. Dihydroorotate Dehydrogenase (DHODH)
  676. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  677. Set 443
    20/26
    1.00 - 1000 nM
  678. Set 444
    21/26
    130 - 100000 nM
  679. Dimethylarginine dimethylaminohydrolase 1 (DDAH)
  680. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  681. Set 445
    12/15
    2000 - 5000000 nM
  682. Set 446
    12/13
    58000 - 5000000 nM
  683. Dipeptidyl peptidase 2 (DPP II)
  684. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  685. Set 447
    9/14
    0.880 - 1000000 nM
  686. Dipeptidyl peptidase 4
  687. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  688. Set 448
    24/28
    4.80 - 830 nM
  689. Set 449
    15/25
    2.40 - 1000000 nM
  690. Set 450
    19/33
    0.480 - 100000 nM
  691. Set 451
    17/27
    0.100 - 170000 nM
  692. Set 452
    9/13
    1.10 - 1000000 nM
  693. Set 453
    16/31
    0.500 - 100000 nM
  694. Set 454
    22/35
    0.080 - 5400 nM
  695. Set 455
    20/25
    250 - 100000 nM
  696. Set 456
    22/25
    39.0 - 21000 nM
  697. Set 457
    22/33
    1.60 - 3000 nM
  698. Set 458
    20/30
    3.80 - 590 nM
  699. Set 459
    25/41
    0.300 - 1700 nM
  700. Set 460
    21/26
    0.330 - 17000 nM
  701. Set 461
    25/31
    0.510 - 13.5 nM
  702. Set 462
    24/32
    0.200 - 1000 nM
  703. Set 463
    19/28
    0.260 - 50000 nM
  704. Set 464
    24/30
    12.0 - 77.0 nM
  705. Set 465
    19/28
    0.200 - 810 nM
  706. Set 466
    20/25
    1.10 - 73.0 nM
  707. Set 467
    28/29
    1.80 - 110 nM
  708. Set 468
    17/20
    11.0 - 40000 nM
  709. Set 469
    23/24
    2.80 - 2800 nM
  710. DNA gyrase subunit B
  711. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  712. Set 470
    32/50
    14.0 - 10000 nM
  713. DNA polymerase beta
  714. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  715. Set 471
    21/32
    600 - 1000000 nM
  716. Dual specificity mitogen-activated protein kinase kinase 1
  717. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  718. Set 472
    19/29
    0.007 - 1700 nM
  719. Set 473
    21/25
    0.007 - 10000 nM
  720. Set 474
    22/30
    1.80 - 4500 nM
  721. Dual specificity protein kinase TTK
  722. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  723. Set 475
    20/27
    1.00 - 2500 nM
  724. Set 476
    23/35
    0.200 - 380 nM
  725. Set 477
    30/49
    19.0 - 10000 nM
  726. Set 478
    19/28
    21.0 - 18000 nM
  727. Set 479
    23/35
    1.10 - 340 nM
  728. Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  729. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  730. Set 480
    19/21
    18.0 - 10000 nM
  731. Set 481
    23/37
    5.00 - 6500 nM
  732. dUTP pyrophosphatase
  733. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  734. Set 482
    23/35
    200 - 310000 nM
  735. Set 483
    22/37
    1800 - 520000 nM
  736. E3 ubiquitin-protein ligase Mdm2
  737. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  738. Set 484
    24/52
    0.059 - 30000 nM
  739. Set 485
    30/50
    1.20 - 71000 nM
  740. Set 486
    20/32
    0.150 - 50000 nM
  741. Set 487
    21/35
    400 - 25000 nM
  742. Set 488
    28/42
    2.40 - 100000 nM
  743. Set 489
    28/34
    80.0 - 100000 nM
  744. Set 490
    22/33
    1.00 - 30000 nM
  745. Egl nine homolog 1
  746. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  747. Set 491
    16/21
    220 - 400000 nM
  748. Set 492
    16/16
    25000 - 100000 nM
  749. Set 493
    17/18
    79.4 - 1000 nM
  750. Endochitinase B1
  751. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  752. Set 494
    13/18
    200 - 1500000 nM
  753. Set 495
    25/32
    17.0 - 5100 nM
  754. Enoyl-ACP Reductase (FabI)
  755. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  756. Set 496
    22/30
    2700 - 50000 nM
  757. Enoyl-ACP Reductase (InhA)
  758. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  759. Set 497
    14/22
    5.00 - 1000000 nM
  760. Set 498
    14/21
    2000 - 14000 nM
  761. Set 499
    21/30
    180 - 50000 nM
  762. Set 500
    28/29
    4.00 - 9300 nM
  763. Set 501
    28/34
    2.00 - 1300 nM
  764. Enoyl-ACP Reductase (PfENR)
  765. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  766. Set 502
    16/16
    49.0 - 480 nM
  767. Enoyl-acyl carrier reductase
  768. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  769. Set 503
    14/17
    3.00 - 2800 nM
  770. Enoyl-acyl-carrier protein reductase
  771. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  772. Set 504
    15/16
    49.0 - 7000 nM
  773. Epidermal growth factor receptor
  774. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  775. Set 505
    18/29
    0.072 - 100000 nM
    Bioorg Med Chem Lett 2004 14:5389-94 J Med Chem 2002 45:3865-77 Bioorg Med Chem Lett 2012 22:6301-5 Bioorg Med Chem 2015 23:7340-7 Bioorg Med Chem 2015 22:6796-805 J Med Chem 2002 45:1300-12 Bioorg Med Chem 2016 24:3501-12 US10106508 J Med Chem 2005 48:7445-56 US9796704 Eur J Med Chem 2015 102:445-63 Bioorg Med Chem Lett 2003 13:637-40 J Med Chem 2001 43:1380-97 J Med Chem 2010 53:2000-9 J Med Chem 1996 39:267-76 J Med Chem 2009 52:964-75 Eur J Med Chem 2017 130:393-405 J Med Chem 2010 53:1413-37 J Enzyme Inhib Med Chem 2014 29:215-22 Nat Biotechnol 2008 26:127-32 J Med Chem 2006 49:3544-52 Bioorg Med Chem Lett 2009 19:1349-56 J Med Chem 2010 53:2892-901 Eur J Med Chem 2017 127:442-458 J Med Chem 2014 57:4598-605 J Med Chem 2005 48:5337-48 Eur J Med Chem 2017 125:245-254 J Med Chem 2012 55:1189-204 Bioorg Med Chem Lett 2002 12:2893-7 Eur J Med Chem 2016 109:371-9 Bioorg Med Chem Lett 2007 17:6373-7 J Med Chem 2016 59:8103-24 Eur J Med Chem 2014 89:826-34 Bioorg Med Chem Lett 2001 11:1911-4 US10196365 Bioorg Med Chem Lett 2011 21:2106-12 Bioorg Med Chem 2013 21:1857-64 Bioorg Med Chem 1996 4:1203-7 Bioorg Med Chem 2016 24:2871-2881 Bioorg Med Chem Lett 2014 24:884-7 Eur J Med Chem 2014 71:1-14 J Med Chem 2008 51:1179-88 Bioorg Med Chem 2012 20:6144-53 Bioorg Med Chem 2010 18:870-9 J Enzyme Inhib Med Chem 2010 25:158-71 Bioorg Med Chem Lett 2005 15:4226-9 Bioorg Med Chem Lett 2006 16:4908-12 Eur J Med Chem 2013 61:84-94 Proc Natl Acad Sci USA 2007 104:20523-8 Eur J Med Chem 2016 110:195-203
  776. Set 506
    32/38
    17.0 - 760000 nM
  777. Set 507
    23/34
    3.30 - 4600 nM
  778. Set 508
    23/37
    2.00 - 11000000 nM
  779. Set 509
    16/23
    0.003 - 100000 nM
    Bioorg Med Chem 2015 23:7340-7 US9725439 Bioorg Med Chem Lett 2012 22:5870-5 Bioorg Med Chem Lett 2017 27:1341-1345 Bioorg Med Chem 2016 24:3501-12 J Med Chem 1997 40:3915-25 Bioorg Med Chem 2007 15:3635-48 Chem Biol Drug Des 2008 71:374-9 J Med Chem 2002 46:49-63 Nat Rev Drug Discov 2017 16:424-440 J Med Chem 2001 43:1380-97 J Med Chem 1996 39:267-76 J Med Chem 2009 52:964-75 J Med Chem 1999 42:5464-74 Eur J Med Chem 2017 130:393-405 US8846699 J Med Chem 2006 49:3544-52 J Med Chem 1996 39:918-28 J Med Chem 2010 53:2892-901 J Med Chem 1995 38:3482-7 Bioorg Med Chem Lett 2005 15:1135-8 Bioorg Med Chem 2011 19:5012-22 Bioorg Med Chem 2011 20:317-23 J Med Chem 2005 48:5337-48 Bioorg Med Chem 2012 20:4217-25 J Med Chem 2012 55:1189-204 Eur J Med Chem 2015 102:115-31 J Med Chem 1996 39:1823-35 J Med Chem 1998 41:742-51 Bioorg Med Chem 2011 19:429-39 Eur J Med Chem 2013 61:132-45 J Med Chem 2017 60:2853-2868 J Med Chem 2016 59:8103-24 Eur J Med Chem 2008 43:781-91 J Med Chem 2014 57:9889-900 J Med Chem 2006 49:6642-5 Bioorg Med Chem Lett 2011 21:2106-12 J Med Chem 2012 55:6243-62 J Med Chem 2001 44:429-40 J Med Chem 2003 46:4313-21 Bioorg Med Chem 2013 21:1857-64 J Med Chem 2012 55:2251-64 Nat Chem Biol 2007 3:229-38 Bioorg Med Chem 1996 4:1203-7 J Med Chem 1995 38:3780-8 J Med Chem 1999 42:1803-15 J Med Chem 2001 44:2719-34 Eur J Med Chem 2012 49:271-8 J Med Chem 2010 53:2038-50 J Med Chem 2008 51:1179-88 Eur J Med Chem 2016 117:283-91 J Med Chem 2006 49:1475-85 Proc Natl Acad Sci USA 2007 104:20523-8
  780. Set 510
    20/35
    0.037 - 100000 nM
    Bioorg Med Chem Lett 2002 12:2893-7 Bioorg Med Chem 2016 24:3359-70 Bioorg Med Chem 2013 21:7988-98 Bioorg Med Chem Lett 2012 22:6301-5 US9187459 US9725439 Bioorg Med Chem Lett 2012 22:5870-5 J Med Chem 2016 59:8103-24 Bioorg Med Chem Lett 2001 11:1911-4 Eur J Med Chem 2008 43:781-91 Bioorg Med Chem 2016 24:3501-12 US10196365 US10106508 J Med Chem 2014 57:9889-900 J Med Chem 2012 55:6243-62 US9796704 J Med Chem 2005 48:1107-31 J Med Chem 2012 55:2251-64 Eur J Med Chem 2015 102:445-63 US9730934 Nat Rev Drug Discov 2017 16:424-440 J Med Chem 2001 43:1380-97 J Med Chem 2010 53:2000-9 US8623883 Bioorg Med Chem 2016 24:2871-2881 J Med Chem 2009 52:964-75 Bioorg Med Chem Lett 2014 24:884-7 Bioorg Med Chem 2010 18:6634-45 US8846699 Bioorg Med Chem 2010 18:870-9 Bioorg Med Chem Lett 2006 16:1633-7 Bioorg Med Chem Lett 2006 16:4908-12 US9358227 US9714235 J Med Chem 2006 49:1475-85 J Med Chem 2016 59:2005-24 Eur J Med Chem 2013 61:84-94 Bioorg Med Chem 2016 24:1495-503 J Med Chem 2009 52:6880-8 Bioorg Med Chem Lett 2016 26:1571-5 J Med Chem 2005 48:5337-48 Eur J Med Chem 2017 125:245-254 Bioorg Med Chem 2009 17:3152-61 J Med Chem 2012 55:1189-204 Bioorg Med Chem 2007 15:3635-48 J Med Chem 2002 46:49-63 Eur J Med Chem 2017 130:393-405 Bioorg Med Chem 2011 19:5012-22 Eur J Med Chem 2015 102:115-31 Bioorg Med Chem Lett 2015 25:5147-54 Bioorg Med Chem 2017 25:27-37 Bioorg Med Chem Lett 2011 21:2106-12 J Med Chem 2001 44:429-40 J Med Chem 1999 42:1803-15 J Med Chem 2001 44:2719-34 Eur J Med Chem 2012 49:271-8 Bioorg Med Chem Lett 2006 16:2672-6
  781. Set 511
    20/32
    26.0 - 2500 nM
  782. Set 512
    20/38
    0.400 - 25000 nM
  783. Set 513
    21/30
    5.00 - 310 nM
  784. Set 514
    26/35
    19.0 - 110 nM
  785. Set 515
    25/40
    1.00 - 2300 nM
  786. Set 516
    26/38
    1.90 - 2300 nM
  787. Epoxide hydratase
  788. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  789. Set 517
    18/28
    0.400 - 50000 nM
  790. Set 518
    11/18
    0.500 - 500000 nM
  791. Set 519
    20/32
    0.500 - 330 nM
  792. Set 520
    15/25
    0.020 - 50000 nM
  793. Set 521
    14/15
    0.500 - 130000 nM
  794. Set 522
    18/39
    1.00 - 100 nM
  795. Set 523
    21/25
    7.00 - 1200 nM
  796. Set 524
    25/32
    5.00 - 23.0 nM
  797. Set 525
    15/24
    5.00 - 700 nM
  798. Set 526
    18/23
    3.90 - 220 nM
  799. Set 527
    18/27
    5.00 - 650 nM
  800. Set 528
    21/29
    1.00 - 1600 nM
  801. Estrogen receptor
  802. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  803. Set 529
    22/23
    0.620 - 70000 nM
  804. Estrogen-related receptor gamma
  805. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  806. Set 530
    26/31
    5.00 - 10000 nM
  807. Estrogen-Related Receptor, gamma
  808. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  809. Set 531
    17/17
    13.0 - 6500 nM
  810. Eukaryotic translation initiation factor 4E
  811. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  812. Set 532
    28/37
    45.0 - 69000 nM
  813. Eukaryotic translation initiation factor 4E (eIF4E)
  814. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  815. Set 533
    22/36
    28.0 - 400000 nM
  816. Set 534
    28/32
    16.0 - 300000 nM
  817. Farnesyl diphosphate synthase
  818. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  819. Set 535
    11/16
    16.4 - 820000 nM
  820. Set 536
    11/19
    0.620 - 150000 nM
  821. Set 537
    10/16
    5.00 - 60000 nM
  822. Set 538
    16/16
    5.10 - 10000 nM
  823. FK506 binding protein 4
  824. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  825. Set 539
    33/44
    710 - 1000000 nM
  826. Focal adhesion kinase 1
  827. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  828. Set 540
    23/32
    470 - 100000 nM
  829. Set 541
    22/28
    4.00 - 10000 nM
  830. Set 542
    23/35
    0.500 - 10000 nM
  831. Set 543
    22/31
    1300 - 57000 nM
  832. Set 544
    16/25
    420 - 30000 nM
  833. Fructose-bisphosphate aldolase A
  834. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  835. Set 545
    21/25
    7500 - 240000 nM
  836. GABA-B receptor 1/2
  837. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  838. Set 546
    13/15
    1000 - 180000 nM
  839. Galectin-1
  840. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  841. Set 547
    32/36
    23000 - 180000 nM
  842. Set 548
    33/33
    6400 - 17000 nM
  843. Set 549
    27/29
    14000 - 4400000 nM
  844. Galectin-3
  845. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  846. Set 550
    40/53
    33.0 - 4300 nM
  847. Set 551
    31/33
    1.10 - 220000 nM
  848. Set 552
    33/33
    1600 - 11000 nM
  849. Set 553
    27/29
    2500 - 2500000 nM
  850. Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)
  851. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  852. Set 554
    21/29
    0.110 - 950000 nM
  853. Set 555
    24/35
    5.10 - 10000 nM
  854. Glucokinase regulatory protein
  855. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  856. Set 556
    21/35
    4.00 - 25000 nM
  857. Set 557
    27/37
    9.70 - 9200 nM
  858. Glucose-1-phosphate thymidylyltransferase (RmlA)
  859. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  860. Set 558
    15/27
    73.0 - 60000 nM
  861. Set 559
    18/18
    100 - 60000 nM
  862. Glutamate carboxypeptidase II
  863. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  864. Set 560
    10/15
    0.100 - 1200 nM
  865. Set 561
    17/21
    44.0 - 5000 nM
  866. Set 562
    21/96
    0.010 - 1000000 nM
  867. Set 563
    26/96
    0.110 - 28.0 nM
  868. Set 564
    28/42
    400 - 27000 nM
  869. Set 565
    20/28
    35.0 - 360000 nM
  870. Set 566
    20/26
    390 - 1000000 nM
  871. Glutamate racemase
  872. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  873. Set 567
    28/32
    13.0 - 900 nM
  874. Set 568
    17/26
    600 - 400000 nM
  875. Glutaminyl Cyclase
  876. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  877. Set 569
    16/22
    0.700 - 18000 nM
  878. Glycogen Phosphorylase (PYGL)
  879. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  880. Set 570
    19/30
    12.0 - 20000 nM
  881. Set 571
    23/39
    3.00 - 100000 nM
  882. Set 572
    15/23
    20.0 - 10000 nM
  883. Set 573
    19/23
    50.1 - 15000 nM
  884. Glycogen Phosphorylase (PYGM)
  885. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  886. Set 574
    25/27
    630 - 800000 nM
  887. Glycogen phosphorylase, muscle form
  888. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  889. Set 575
    28/42
    1100 - 1700000 nM
  890. Set 576
    18/32
    350 - 4500000 nM
  891. Set 577
    19/29
    350 - 4500000 nM
  892. Set 578
    20/29
    1000 - 6600000 nM
  893. Set 579
    20/31
    26000 - 780000 nM
  894. Set 580
    24/25
    40000 - 980000 nM
  895. Glycogen synthase kinase-3 beta
  896. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  897. Set 581
    20/32
    0.100 - 690 nM
  898. Set 582
    33/38
    69.0 - 10000 nM
  899. Set 583
    18/29
    0.053 - 7200 nM
  900. Set 584
    32/32
    2.00 - 2500 nM
  901. Set 585
    17/23
    250 - 63000 nM
  902. Set 586
    19/23
    0.830 - 30.0 nM
  903. Set 587
    18/22
    7.50 - 730 nM
  904. Set 588
    21/34
    2.00 - 25000 nM
  905. Set 589
    16/23
    79.4 - 100000 nM
  906. Set 590
    18/19
    2.50 - 1000000 nM
  907. Set 591
    20/24
    20.0 - 2600 nM
  908. Set 592
    18/24
    4.90 - 300000 nM
  909. Grb2-SH2
  910. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  911. Set 593
    32/52
    0.075 - 600000 nM
  912. Group X secretory phospholipase A2
  913. Compounds
    min/max MCSS
    Affinity (nM)
    Structures (PDB ids)
    Data Source(Articles)
    SDfile
  914. Set 594
    13/15
    51.0 - 1200 nM