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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
6 Ki 78 IC50
  • 1,3-beta-glucan synthase component GLS2
  • 3-phosphoinositide dependent protein kinase-1
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Axin-1/Glycogen synthase kinase-3 beta
  • CAMK2B
  • CDK2/Cyclin A1
  • COUP transcription factor 1
  • Calmodulin/Proto-oncogene tyrosine-protein kinase Src
  • Casein kinase I isoform alpha
  • Cereblon/BCR/ABL
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • Ephrin receptor
  • Ephrin type-B receptor 4
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Interleukin-1 receptor-associated kinase 4
  • MAP kinase-activated protein kinase 2
  • MAP kinase-activated protein kinase 5
  • MAP kinase-interacting serine/threonine-protein kinase 1/2
  • Macrophage-stimulating protein receptor
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 12
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 9
  • Non-receptor tyrosine-protein kinase TYK2
  • PKC alpha and beta-2
  • Phosphatidylinositol 3-kinase catalytic subunit type 3
  • 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
  • Phosphatidylinositol 4-kinase, PI4K
  • Platelet-derived growth factor receptor
  • Protein kinase C theta type
  • Protein kinase N1
  • Protein kinase N2
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Rho-associated protein kinase 2
  • Serine/threonine-protein kinase PAK 2
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase WNK1
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • 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 Yes
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • mTOR/FKBP12A/FKBP12B
  • US8592455, 70
33 Ki 51 IC50
  • 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
  • Monoamine Oxidase Type A (MAO-A)
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Multidrug resistance-associated protein 4
  • Potassium voltage-gated channel subfamily H member 2
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • 4-chloro-N-(2-morpholin-4-ylethyl)benzamide
  • 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
  • Aurorix
  • CHEMBL86304
  • MCL
  • Moclobemide
81 IC50
0 ΔG°
  • Aldehyde reductase
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose Reductase (ALR2) Mutant (L300P)
  • Aldose reductase
  • Aldose reductase (ALR2)
  • Aldose reductase (AR)
  • Aldose reductase L301M (AR)
  • (4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione
  • CHEMBL266497
  • Sorbinil
22 Ki 36 IC50 1 Kd 25 EC50
  • Androgen Receptor
  • Androgen receptor
  • Corticosteroid-binding globulin
  • Cytochrome P450 19A1
  • Estrogen receptor
  • G-protein coupled bile acid receptor 1
  • Glucocorticoid
  • Glucocorticoid receptor
  • Mineralocorticoid receptor
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • Progesterone receptor
  • Testis-specific androgen-binding protein
  • mineralocorticoid
  • (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
  • (5alpha,17beta)-17-hydroxyandrostan-3-one
  • CHEMBL27769
  • DHT
  • Dihydrotestosterone
  • [3H]DHT
21 Ki 10 IC50 7 Kd 46 EC50
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Galanin receptor 3
  • Multidrug resistance-associated protein 4
  • 1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol
  • 4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol
  • Aeromax
  • Salmeterol
  • Serevent
  • salmeterol xinafoate
84 Ki
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Adrenergic receptor alpha-1
  • Adrenergic receptor alpha-2
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • CCKBR
  • Calcium channel
  • 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
  • Dopamine receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • HTR2C
  • HTR6
  • Histamine H1 receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • NT
  • Norepinephrine transporter
  • Prostanoid TP receptor
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • Substance P
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • adrenergic Alpha2
  • 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin
  • 2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin
  • 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine
  • CHEMBL285802
  • Nipolept
  • Zoleptil
  • zotepine
78 IC50 6 EC50
  • ALK tyrosine kinase receptor
  • Angiopoietin-1 receptor
  • Bone morphogenetic protein
  • Cyclin-dependent kinase 1
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Insulin-like growth factor I receptor
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Macrophage-stimulating protein receptor
  • Mast/stem cell growth factor receptor Kit
  • Oxytocin receptor
  • POsterior Segregation family member (pos-1)
  • Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase Src
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RecName: Full=Zinc finger protein mex-5
  • Receptor tyrosine-protein kinase erbB-2
  • Tubulin beta chain
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • Vasopressin V1a receptor
  • (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
  • 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-indolin-2-one
  • CHEMBL276711
  • SU5146
  • SU5416
  • Semaxanib
  • US10189853, semaxanib
  • US9422297, SU5416
  • cid_5329098
74 Ki 2 IC50 3 Kd 5 EC50
  • 5-HT2
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2B (5HT2B)
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic receptor alpha-2
  • Cathepsin K
  • Cytochrome P450 2A13
  • Cytochrome P450 2A6
  • HTR1D
  • HTR2B
  • HTR2C
  • HTR4
  • HTR6
  • HTR7
  • Indoleamine 2,3-dioxygenase
  • Myeloperoxidase (MPO)
  • Norepinephrine Monoamine transporters
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • TRAR1
  • Trace amine-associated receptor 1
  • 1H-indole-3-ethanamine
  • 2-(1H-indol-3-yl)ethanamine
  • 2-(3-indolyl)ethylamine
  • CHEMBL6640
  • tryptamine
71 Ki 8 IC50 4 Kd 1 EC50
  • Acetylcholinesterase
  • CHRM4
  • Cholinesterases
  • Muscarinic acetylcholine receptor DM1
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • NR1/NR2A
  • CHEMBL27673
  • CHEMBL500996
  • METHOCTRAMINE
  • N,N''-Bis-[6-(2-methoxy-benzylamino)-hexyl]-octane-1,8-diamine
  • N1,N8-bis(6-(2-methoxybenzylamino)hexyl)octane-1,8-diamine
43 Ki 1 IC50 3 Kd 37 EC50
  • Bile salt export pump
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine H4 Receptor
  • Histamine H4 receptor
  • Histamine receptor (H3 and H4)
  • CHEBI:18295
  • HISTAMINE
  • Histamine
69 Ki 14 IC50 1 EC50
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • CCKBR
  • Calcium channel
  • Calcium channel (Type L)
  • 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
  • HTR1D
  • HTR2C
  • Histamine H1 receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M2
  • NT
  • Norepinephrine transporter
  • Potassium voltage-gated channel subfamily H member 2
  • Prostanoid TP receptor
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Sigma non-opioid intracellular receptor 1
  • Sodium channel protein type 5 subunit alpha
  • Sodium-dependent dopamine transporter
  • Substance P
  • Voltage-gated L-type calcium channel
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Voltage-gated potassium channel subunit Kv4.3
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • adrenergic Alpha2
  • 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
  • 9-OH-risperidone
  • 9-hydroxy risperidone
  • CHEMBL1621
  • Invega
  • PALIPERIDONE
3 Ki 40 IC50 41 EC50
  • 1,3-beta-glucan synthase component GLS2
  • 3',5'-cyclic phosphodiesterase
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 3A
  • Acetylcholinesterase
  • Adenosine receptor A2a
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Androgen receptor/Baculoviral IAP repeat-containing protein 2
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • Cholecystokinin receptor
  • Cyclooxygenase
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • Delta-type opioid receptor
  • Endothelin receptor, ET-A/ET-B
  • Glucocorticoid receptor
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Kappa-type opioid receptor
  • Monoamine oxidase
  • Monoamine transporter
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2 and M5
  • Neuronal acetylcholine receptor Alpha-4/Beta-2
  • Prostaglandin E synthase/G/H synthase 2
  • Serotonin (5-HT) receptor
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • Tyrosine-protein kinase Lck
  • Vasopressin V1a receptor
  • Voltage-gated L-type calcium channel
  • CHEMBL4563408
84 Ki
  • 5-HT1 like
  • 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
  • ADRB2
  • Adrenaline alpha1
  • Beta-1 adrenergic receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(4) dopamine receptor
  • HRH2
  • HTR1D
  • HTR2A
  • HTR4
  • Histamine H1 receptor
  • Muscarinic acetylcholine receptor M3
  • Serotonin (5-HT) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • adrenergic Alpha1
  • adrenergic Alpha2
  • BW-723C86
  • CAS_5311036
  • NSC_5311036