Search by Compound Name


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
143 Ki 41 IC50 1 Kd 1 EC50
  • Acetylcholinesterase
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine A2a receptor
  • Adenosine A2b receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2a and A3
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • Adenosine receptors; A2a & A2b
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Chitinase 1
  • Cholinesterases; ACHE & BCHE
  • DNA-dependent protein kinase
  • Endochitinase B1
  • Glycogen phosphorylase, muscle form
  • Guanine deaminase
  • Liver glycogen phosphorylase
  • Multidrug resistance-associated protein 4
  • Muscle glycogen phosphorylase
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
  • Phosphodiesterase 1
  • Potassium voltage-gated channel subfamily H member 2
  • Serine-protein kinase ATM
  • Serine/threonine-protein kinase ATR
  • Sodium channel protein type I I alpha subunit
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4A
  • 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione
  • CHEMBL113
  • Caffeine (1,3,7-trimethylxanthine)
  • caffeine
0 ΔG°
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
  • alpha-cyclodextrin
115 Ki 52 IC50 4 Kd 15 EC50
  • 5-HT5
  • 5-HT5B
  • 5-hydroxytryptamine 1D receptor (5HT1D)
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1A (5HT1A)
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • HTR1D
  • HTR1E
  • HTR1F
  • HTR4
  • HTR6
  • HTR7
  • Multidrug and toxin extrusion protein 1
  • Multidrug resistance-associated protein 4
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 1d (5-HT1d) receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide
  • 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide
  • 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
  • 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide
  • 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide
  • CHEMBL128
  • SUMATRIPTAN
  • Sumatran
  • Sumax
169 Ki 17 IC50
  • 1,3-beta-glucan synthase component GLS2
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Adrenergic receptor alpha-1
  • Adrenergic receptor alpha-2
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Bile salt export pump
  • CCKBR
  • Calcium channel
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholecystokinin B
  • Cholinergic, muscarinic
  • Cysteinyl leukotriene receptor 1
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Delta-type opioid receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • HTR2C
  • Histamine H1 receptor
  • Histone H1
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Multidrug resistance-associated protein 4
  • Muscarinic acetylcholine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • NT
  • Norepinephrine transporter
  • Potassium voltage-gated channel subfamily H member 2
  • Prostanoid TP receptor
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • Substance P
  • Transporter
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • adrenergic Alpha2
  • 5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one
  • 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one
  • 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one (Ziprasidone)
  • 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one(Norastemizole)
  • CHEMBL708
  • GEODON
  • ZIPRASIDONE
  • ZIPRASIDONE HYDROCHLORIDE