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Compound Name:

Compounds Sorted by Binding Data per Compound

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55
56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81
82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105
106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124
125 127 128 129 130 132 133 134 135 136 137 138 139 140 141 143 144 145 146
147 148 149 150 151 153 154 155 156 159 160 161 163 164 165 168 170 171 173
174 176 178 179 183 184 186 188 189 190 191 192 193 196 198 199 200 203 204
205 206 207 208 209 210 216 220 224 226 227 229 232 237 238 241 243 248 252
253 259 261 270 274 276 277 285 291 303 304 313 318 323 325 328 333 335 337
339 341 353 360 361 365 389 393 398 401 413 433 442 444 445 446 447 448 451
453 454 455 457 458 460 463 465 467 473 477 478 482 484 499 504 505 506 517
521 525 543 549 551 554 591 606 663 691 708 796 804 821 825 833 842 847 854
855 861 873 879 883 887 913 914 925 926 938 947 1010 1027 1050 1052 1081 1082
1099 1115 1130 1133 1206 1262 1543 1639 1903 2029
Compounds Sorted Alphabetically
Compound Name (alphabetical)
Enz. Inhib. Data
ITC Data
Binding Targets
Alternate Compound Names
31 Ki 17 IC50 5 Kd 6 EC50
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu opioid receptor
  • Mu-type opioid receptor
  • OPRD1
  • Opioid receptor
  • Opioid receptors; mu & delta
  • Sigma non-opioid intracellular receptor 1
  • (2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanoic acid
  • (D-Ala2,D-Leu5)-Enkephalin
  • BW-180C
  • CHEMBL340032
  • DADLE
  • DADLE-OH
  • H-Tyr-D-Ala-Gly-Phe-D-Leu-OH
  • [D-Ala2-D-Leu5]enkephalin
59 Ki
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha carbonic anhydrase
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Gamma-carbonic anhydrase
  • CHEMBL93268
  • NO2-
  • nitrite
  • nitrite ion
59 Ki
  • ADORA1
  • ADORA3
  • Adenosine A1 receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A1 (A1)
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • (R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • (R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • (S)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • 2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol
  • 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • CHEMBL274022
  • ChEMBL_20163
  • D-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • R-N6-(2-phenylisopropyl) adenosine
  • R-PIA
  • S-PIA
59 IC50
  • 40S ribosomal protein S27
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDC7 and DBF4
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Ephrin type-A receptor 2
  • Epidermal growth factor receptor
  • Eukaryotic elongation factor 2 kinase
  • Fibroblast growth factor receptor 1
  • Focal adhesion kinase 1
  • Hepatocyte growth factor receptor
  • High affinity immunoglobulin gamma Fc receptor I
  • High affinity nerve growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Insulin receptor
  • MAP kinase-activated protein kinase 2
  • MAP kinase-interacting serine/threonine-protein kinase 2
  • Mast/stem cell growth factor receptor Kit
  • Maternal embryonic leucine zipper kinase (MELK)
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 14
  • Mitotic checkpoint serine/threonine-protein kinase BUB1
  • Non-receptor tyrosine-protein kinase TYK2
  • PKC alpha and beta-2
  • Pancreatic endoplasmic reticulum kinase (PERK)
  • Proto-oncogene tyrosine-protein kinase ROS
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase MST4
  • Serine/threonine-protein kinase NEK6
  • Serine/threonine-protein kinase NIM1
  • Serine/threonine-protein kinase PAK 4
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase haspin
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
  • Tyrosine kinase non-receptor protein 2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • CHEMBL3297762
  • US9145418, 2
11 Ki 46 IC50 2 Kd
  • Betaine transporter
  • GABA transporter
  • GABA transporter 1
  • GABA transporter 3
  • Sodium- and chloride-dependent GABA transporter 1
  • (R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride
  • (R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid
  • (R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride
  • (S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid
  • 1-[4,4-Bis-(3-methyl-4,5-dihydro-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid
  • 1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride
  • A-70569-1
  • ABBOTT-70569
  • ABBOTT-70569-1
  • ABT-569
  • CHEMBL1027
  • Gabitril
  • NNC-05-0328
  • NO-05-0328
  • TIAGABINE
  • Tiagabine hydrochloride
19 Ki 40 EC50
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • HTR2C
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
  • (R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
  • CHEMBL360328
  • LORCASERIN
51 Kd 4 Koff 4 Kon
  • Carbonic Anhydrase III
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Carbonic anhydrase V
  • Carbonic anhydrases; II & IX
  • 5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
  • CHEMBL1272187
  • N-alkylated benzimidazole derivative, 4a
  • carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 4
2 Ki 51 IC50 2 Kd 4 EC50
  • CDC2-like kinase 3 (CLK3)
  • CDK2/CycE
  • Casein kinase II alpha'/ beta
  • Casein kinase II subunit alpha
  • Casein kinase II subunit alpha 3
  • Casein kinase II subunit alpha'
  • Casein kinase II subunit beta (CK2 beta)
  • Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3
  • Death-associated protein kinase 3
  • Dual specificity protein kinase CLK2
  • Dual specificity tyrosine-phosphorylation-regulated kinase 1B
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Homeodomain-interacting protein kinase 3
  • Serine/threonine-protein kinase TBK1
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Tyrosine-protein kinase receptor FLT3
  • 5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
  • 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
  • CHEMBL1230165
  • US9062043, Table 13, Compound 17
  • US9062043, Table 20b, Compound 12
2 Ki 57 IC50
  • 3',5'-cyclic phosphodiesterase
  • Class I phosphodiesterase B1 (TbrPDEB1)
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 1
  • Phosphodiesterase 3
  • Phosphodiesterase 4
  • Phosphodiesterase 4 and 5 (PDE4 and PDE5)
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4C
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4D
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • (1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphenyl)cyclohexanecarboxylic acid
  • 4-Cyano-3-cyclopentyloxy-4-(4-methoxy-phenyl)-cyclohexanecarboxylic acid
  • 4-Cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-cyclohexanecarboxylic acid
  • 4-Cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-cyclohexanecarboxylic acid (Ariflo)
  • 4-Cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-cyclohexanecarboxylic acid methyl ester
  • 4-Cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-cyclohexanecarboxylic acid(Ariflo)
  • 6-(3,4-Dimethoxy-phenyl)-5-methyl-4,5-dihydro-2H-pyridazin-3-one
  • Ariflo
  • CHEMBL511115
  • SB-207499
39 IC50 20 Kd
  • ALK tyrosine kinase receptor
  • CDK6/cyclin D1
  • Calmodulin/Proto-oncogene tyrosine-protein kinase Src
  • Cereblon/BCR/ABL
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-Dependent Kinase 7 (CDK7)
  • Discoidin domain-containing receptor 2
  • Fibroblast growth factor receptor 1
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • Platelet-derived growth factor receptor
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase NEK2
  • Serine/threonine-protein kinase pim-1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • CHEMBL4473820