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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
7 Ki 43 IC50 5 Kd 2 EC50
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • DNA-dependent protein kinase
  • Multidrug resistance-associated protein 4
  • Myosin light chain kinase, smooth muscle
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
  • Phosphoinositide 3-Kinase (PI3K), delta
  • Phosphoinositide 3-Kinase (PI3K), gamma
  • Polo-Like Kinase 3
  • Polo-Like Kinase 4
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK2
  • Serine/threonine-protein kinase PLK3
  • endothelial PAS domain-containing protein 1
  • mRNA interferase toxin, antitoxin is MazE
  • mTOR/FKBP12A/FKBP12B
  • p110α/p85α
  • p110β/p85α
  • (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate
  • CHEMBL428496
  • NSC221019
  • Wortmannin
  • Wortmannin, Wm
  • cid_312145
57 IC50
  • PKC alpha and beta-2
  • Protein kinase C (PKC)
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Protein kinase C, epsilon
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • cAMP-Dependent Protein Kinase (PKA)
  • cAMP-dependent protein kinase (PKA)
  • 2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
  • Balanol analog 4
  • CHEMBL59828
52 IC50 3 Kd 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A3
  • Adrenergic receptor alpha-2
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Angiotensin II receptor
  • Beta-1 adrenergic receptor
  • Bradykinin B2 receptor
  • C-C chemokine receptor type 1
  • C-X-C chemokine receptor type 2
  • Cholecystokinin receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • Delta-type opioid receptor
  • Dopamine receptor D2L/neurotensin receptor NTS1
  • Endothelin-1 receptor
  • Galanin receptor 2
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Isoform 2 of Nuclear receptor ROR-gamma
  • Kappa-type opioid receptor
  • Melanocortin receptor 4
  • Melatonin receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2 and M5
  • Neurokinin 2 receptor
  • Neuromedin-K receptor
  • Neuropeptide Y receptor type 1
  • Neuropeptide Y receptor type 2
  • Nociceptin receptor
  • Nuclear receptor ROR-beta
  • Nuclear receptor ROR-gamma (RORC)
  • Serotonin 1B/1D receptor
  • Small conductance calcium-activated potassium channel
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Somatostatin receptor
  • VIPR1
  • Vasopressin V1a receptor
  • US10301272, Example 7/9
4 Ki 51 IC50 2 Kd
  • 1,3-beta-glucan synthase component GLS2
  • Bile salt export pump
  • Calcium channel
  • Calcium channel (Type L)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • Histamine H1 receptor
  • Multidrug resistance-associated protein 4
  • Muscarinic acetylcholine receptor M1
  • Neurokinin 1 receptor
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium channel protein type 5 subunit alpha
  • Transcriptional activator protein luxR
  • Voltage-dependent L-type calcium channel subunit alpha-1C
  • Voltage-gated L-type calcium channel
  • (+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol
  • 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol
  • 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol(Terfenadine)
  • 1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol
  • CHEMBL17157
  • TERFENADINE
  • teraenadine
57 IC50
  • Calcium-independent phospholipase A2
  • Group IID secretory phospholipase A2
  • Group IIE secretory phospholipase A2
  • Group IIF secretory phospholipase A2
  • Group X secretory phospholipase A2
  • Group XIIB secretory phospholipase A2-like protein
  • Phospholipase A2
  • Phospholipase A2 group 1B
  • Phospholipase A2 group IIA
  • Phospholipase A2 group V
  • Phospholipase A2, major isoenzyme
  • Phospholipase A2, membrane associated
  • Secretory phospholipase A2, group V (sPLA2-V)
  • (3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-acetic acid
  • (3-Aminooxalyl-1-benzyl-2-ethyl-2,3-dihydro-1H-indol-4-yloxy)-acetic acid
  • 2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetic acid
  • CHEMBL148674
  • Varespladib sodium
42 Ki 12 IC50 2 Kd 1 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • HLA class I histocompatibility antigen A-3
  • Histamine H1 receptor
  • Multidrug resistance-associated protein 4
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Norepinephrine transporter
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Serum albumin
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
  • CHEMBL621
  • TRAZODONE
57 Ki
  • 5-HT1
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD1
  • Dopamine D1 receptor
  • HTR6
  • Histamine H1 receptor
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Serotonin (5-HT) receptor
  • 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one
  • 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one ( Molindone)
  • CHEMBL460
  • MOLINDONE
  • Moban
7 Ki 49 IC50 1 Kd
  • Aldehyde dehydrogenase
  • Aldehyde dehydrogenase, cytosolic 1
  • Alpha-1A adrenergic receptor
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Pyrroline-5-carboxylate reductase 1, mitochondrial
  • Benzyl-methyl-prop-2-ynyl-amine
  • CHEMBL673
  • Eutonyl
  • Eutron
  • N-benzyl-N-methylprop-2-yn-1-amine
  • PARGYLINE
  • US9603833, Pargyline
8 Ki 35 IC50 14 EC50
  • Cholecystokinin receptor
  • 2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6(5H)-yl)-N-benzyl-N-isopropylacetamide
  • CHEMBL1269258
57 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Calcium channel
  • Cannabinoid receptor 1
  • Cholinergic, Nicotinic Alpha3Beta2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Dopamine receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Glutamate receptor ionotropic, NMDA 1
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 receptor
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 6 (mGlu6)
  • Metabotropic glutamate receptor 8 (mGlu8)
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor subunit alpha-4
  • Neuronal acetylcholine receptor; alpha2/beta2
  • Oxytocin receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Vasopressin V1b receptor
  • Vasopressin V2 receptor
  • L-homocysteine sulfinic acid