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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
28 IC50 28 Kd
  • 5-hydroxytryptamine receptor 2A
  • Axin-1/Glycogen synthase kinase-3 beta
  • Calmodulin/Proto-oncogene tyrosine-protein kinase Src
  • Glycogen synthase kinase-3
  • Glycogen synthase kinase-3 beta
  • Mitogen-activated protein kinase 12
  • Mitogen-activated protein kinase 12 Gamma
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase Src
  • SRC
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase SYK
  • hck
  • US10238658, Example 1
  • US10813932, Example 1
  • US9108950, 1
  • US9724347, Example 1
  • US9993478, Example 1
56 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • HTR6
  • HTR7
  • Histamine H1 receptor
  • Histamine H4 receptor
  • Serotonin (5-HT) receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sigma non-opioid intracellular receptor 1
  • 1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergolin-8-yl]urea
  • 3,3-diethyl-1-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,9,12(16),13-pentaen-4-yl]urea
  • 8R-lisuride
  • LISURIDE
24 Ki 32 IC50
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Anandamide amidohydrolase
  • Fatty Acid Amide Hydrolase
  • Fatty-acid amide hydrolase 1
  • Fatty-acid amide hydrolase 2
  • Neutral cholesterol ester hydrolase 1
  • Triacylglycerol Hydrolase
  • 7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
  • CHEMBL177577
  • OL-135
53 IC50 0 Other
  • Cereblon/Histone deacetylase 6
  • Cytochrome P450 3A
  • Histone Deacetylase 4 (HDAC4) Mutant (H976Y)
  • Histone deacetylase 1
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 3/NCoR1
  • Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Leukotriene A4 hydrolase
  • Potassium voltage-gated channel subfamily H member 2
  • CHEMBL272980
  • MGCD-0103
  • MGCD0103
  • N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide
  • US10227295, Compound MGCD0103
  • US9409858, MGCD0103
  • US9751832, MGCD0103
  • US9956192, Compound MGCD0103
56 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Cytoplasmic tyrosine-protein kinase BMX
  • Epidermal growth factor receptor
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase FRK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • US9447106, 27b (peak 2)
  • US9556188, Compound 27a
9 Ki 46 IC50 1 Kd
  • Alpha-ketoglutarate-dependent dioxygenase FTO
  • Beta-lactamase
  • Egl nine homolog 1
  • Egl nine homolog 2
  • Histone Lysine Demethylase
  • Homo sapiens lysine demethylase 2A (KDM2A)
  • Hypoxia-inducible factor 1 (FIH)
  • Lysine-specific demethylase 3A
  • Lysine-specific demethylase 4A (KDM4A)
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 4D
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A (KDM5A)
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C)
  • Lysine-specific demethylase 5D (KDM5D)
  • Lysine-specific demethylase 6A (KDM6A)
  • Lysine-specific demethylase 6B
  • Prolyl 4-hydroxylase
  • Trypanosoma brucei RNA editing ligase 1
  • 2,4 PDCA
  • cid_10365
  • pyridine carboxylate, 6a
  • pyridine-2,4-dicarboxylic acid
56 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
  • Carbonic anhydrase 9
  • Gamma-carbonic anhydrase
  • CHEMBL183495
  • SO4(2-)
  • SODIUM SULFATE
  • sulfate
  • sulfate ion
56 Ki
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha carbonic anhydrase
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XIV
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Gamma-carbonic anhydrase
  • beta-Carbonic Anhydrase
  • CHEMBL364571
  • PhAsO3H2
  • benzenarsonic acid
  • benzenearsonic acid
  • phenylarsonic acid
5 Ki 42 IC50 5 Kd 4 EC50
  • Acetylcholinesterase
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpha-chymotrypsin
  • Bacterial beta-lactamase TEM
  • Beta-lactamase AmpC
  • Bile salt export pump
  • Calcium release-activated calcium channel
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterase
  • Cytochrome P450 121
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 142 (CYP142)
  • Cytochrome P450 144 (CYP144)
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 2C19
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • DNA recombination protein RecA
  • Heme Oxygenase 1 (HO-1)
  • Heme Oxygenase 2 (HO-2)
  • Indoleamine 2,3-dioxygenase
  • Indoleamine 2,3-dioxygenase 1
  • Indoleamine 2,3-dioxygenase 2
  • Lanosterol 14-alpha demethylase
  • Malate dehydrogenase cytoplasmic
  • Metabotropic glutamate receptor 6
  • Multidrug resistance-associated protein 4
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Sterol 14α-demethylase (CYP51)
  • methionyl-tRNA synthetase
  • 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
  • Brentan
  • CHEMBL91
  • Dactarin
  • Miconazole
  • US9138393, Miconazole Nitrate
  • US9144538, Miconazole Nitrate
  • cid_4189
15 Ki 32 IC50 9 Kd
  • Aurora kinase A/B
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Aurora-C/INCENP
  • Discoidin domain-containing receptor 2
  • High affinity nerve growth factor receptor
  • Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1
  • Protein delta homolog 1
  • Receptor-interacting protein 1 (RIPK1)
  • Receptor-interacting serine/threonine-protein kinase 1
  • Serine/threonine-protein kinase Aurora-C
  • Serine/threonine-protein kinase PLK4
  • Serine/threonine-protein kinase TBK1
  • Tyrosine-protein kinase receptor FLT3
  • MK-045
  • MK-0457
  • TOZASERTIB
  • US9249124, VX680
  • VX-68
  • VX-680
49 IC50 1 Kd 6 EC50
  • Bacteriophage T4 DNA Ligase
  • Bile salt export pump
  • CAM-RNase A
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cystic fibrosis transmembrane conductance regulator
  • DNA topoisomerase
  • DNA topoisomerase 1
  • DNA topoisomerase I
  • DNA topoisomerase I (Topo I)
  • DNA topoisomerase type IB small subunit
  • Deoxyribonuclease-1
  • Deoxyribonuclease-2-alpha
  • Heterogeneous nuclear ribonucleoprotein A1
  • Human immunodeficiency virus type 1 integrase
  • Multidrug resistance-associated protein 4
  • Pancreatic endoplasmic reticulum kinase (PERK)
  • Reverse transcriptase
  • Serine/threonine-protein kinase Chk1/2
  • Somatostatin receptor
  • Telomerase reverse transcriptase
  • Topoisomerase II alpha (HuTopoIIα)
  • Type-2 restriction enzyme BamHI
  • Type-2 restriction enzyme EcoRI
  • Type-2 restriction enzyme HindIII
  • Type-2 restriction enzyme PstI
  • Type-2 restriction enzyme ScaI
  • Tyrosyl-DNA phosphodiesterase 1
  • Tyrosyl-DNA phosphodiesterase 2
  • (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione
  • (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin)
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT)
  • 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione
  • CHEMBL65
  • Camptothecin (CT)
  • camptothecine
  • cid_24360
56 IC50
  • Aldehyde reductase
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase
  • Aldose reductase (ALR2)
  • Aldose reductase (AR)
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Enoyl-[acyl-carrier-protein] reductase [NADH]
  • Multidrug resistance-associated protein 4
  • Sorbitol dehydrogenase
  • 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
  • CHEMBL56337
  • Epalrestat
  • {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
7 Ki 10 IC50 16 Kd 22 EC50
0 ΔG°
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cruzipain
  • Intestinal fatty acid-binding protein (hIFABP)
  • Liver fatty acid binding protein (human L-FABP T94A)
  • Liver fatty acid binding protein (human L-FABP T94T)
  • Liver fatty acid binding protein (rat L-FABP)
  • Multidrug resistance-associated protein 4
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor gamma
  • 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester
  • CHEMBL672
  • FENOFIBRATE
  • FNF
  • Fenofibric acid
  • Finofibrate
  • Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate
  • Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate
  • Lipantil (TN)
  • Procetofen
  • Tricor (TN)
  • propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
2 Ki 50 IC50 1 Kd 3 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Indoleamine 2,3-dioxygenase
  • Indoleamine 2,3-dioxygenase 2
  • Tryptophan 2,3-dioxygenase
  • EPACADOSTAT
  • Epacadostat
  • INCB-024360
4 Ki 50 IC50 2 Kd
  • 1,3-beta-glucan synthase component GLS2
  • Acetylcholinesterase
  • Butyrylcholinesterase (BChE)
  • Butyrylcholinesterase (BuChE)
  • Cell division protein FtsZ
  • Cholesterol esterase
  • Cholinesterase
  • Cholinesterases
  • Cholinesterases; ACHE & BCHE
  • Cytochrome P450 1B1
  • Neuraminidase
  • Potassium voltage-gated channel subfamily H member 2
  • Prolyl endopeptidase
  • Retinoic acid receptor RXR-alpha/gamma
  • Reverse transcriptase
  • SUMO/sentrin specific peptidase family member 8
  • Sortase A (SrtA)
  • Telomerase reverse transcriptase
  • 3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium
  • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium
  • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride
  • 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride
  • BERBERINE
  • Berberinechloride
  • CHEMBL12089
  • berberine dimer
  • cid_12456
56 IC50
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • BDNF/NT-3 growth factors receptor
  • Casein kinase I isoform delta
  • Cyclin-dependent kinase 1
  • Cyclin-dependent-like kinase 5
  • Death-associated protein kinase 3
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Ephrin type-A receptor 2
  • Epidermal growth factor receptor
  • Glycogen synthase kinase-3
  • High affinity nerve growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • MAP kinase-activated protein kinase 3
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 12
  • Mitogen-activated protein kinase 13 (MAPK13)
  • Non-receptor tyrosine-protein kinase TYK2
  • PAK 1/CDC42
  • Protein kinase C delta type
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Rho-associated protein kinase 1
  • Rho-associated protein kinase 2
  • Serine/threonine-protein kinase AKT
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase CHK2
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase D2
  • Serine/threonine-protein kinase MRCK alpha
  • Serine/threonine-protein kinase MST2
  • Serine/threonine-protein kinase Nek2
  • Serine/threonine-protein kinase PAK 4
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK3
  • Serine/threonine-protein kinase Sgk1
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • CHEMBL1090360
  • N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
14 Ki 42 IC50
  • Monoamine transporters; Norepininephrine & dopamine
  • Norepinephrine Monoamine transporters
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • CHEMBL2079586
  • WIN-35428