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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
21 Ki 47 IC50 1 EC50 0 Other
  • Bromodomain-containing protein 4
  • Catalytic domain 2 (zCD2)
  • Cereblon/Histone deacetylase 1
  • Cereblon/Histone deacetylase 6
  • Class 1 histone deacetylase
  • Cytochrome P450 3A
  • Histone Deacetylase (pfHDAC-1)
  • Histone Deacetylase 4 (HDAC4) Mutant (H976Y)
  • Histone deacetylase
  • Histone deacetylase (HDAC1 and HDAC2)
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • Leukotriene A4 hydrolase
  • Potassium voltage-gated channel subfamily H member 2
  • (2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
  • Belinosta
  • Belinostat
  • PXD-101
  • PXD101
7 Ki 15 IC50 15 Kd 33 EC50
  • Cyclooxygenase-1 (COX-1)
  • 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)
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor delta
  • Peroxisome proliferator-activated receptor gamma
  • 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic acid
  • 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoic acid
  • CHEMBL981
  • FENOFIBRIC ACID
  • FIBRICOR
  • Fenofibrate
  • LF 153
  • alpha-1081
  • procetofenic acid
5 Ki 65 IC50
  • Arachidonate 5-lipoxygenase
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Cyclooxygenase-2 (COX-2)
  • Cytochrome P450 19A1
  • Prostaglandin E synthase
  • Prostaglandin E synthase/G/H synthase 2
  • Prostaglandin G/H synthase (Cyclooxygenase-2)
  • Prostaglandin G/H synthase (cyclooxygenase)
  • CHEMBL7162
  • N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide
  • N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide
  • N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398)
  • N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide
  • N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
  • N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide
  • NS-398
  • NS398
56 Ki 14 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 7
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Histamine H1 receptor
  • Multidrug resistance-associated protein 4
  • Muscarinic acetylcholine receptor M2
  • Norepinephrine Monoamine transporters
  • Norepinephrine transporter
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • adrenergic Alpha2
  • (+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-triaza-tribenzo[a,c,e]cycloheptene
  • 2-methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-triaza-tribenzo[a,c,e]cycloheptene
  • CHEMBL654
  • MIRTAZAPINE
  • ORG 3770
  • REMERON
70 Ki
  • ADORA1
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A1 (A1)
  • Adenosine receptor A2a
  • Adenosine receptor A2a and A3
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • CHEMBL273094
  • N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide
  • N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)
  • N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)
  • N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide
  • N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
  • XAC
63 Ki 3 IC50 4 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 4 (5-HT4)
  • 5-hydroxytryptamine receptor 7
  • Acetylcholinesterase
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A3
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Amine oxidase (flavin-containing) A
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Cannabinoid receptor 1
  • Cholecystokinin receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Dopamine receptor D2L/neurotensin receptor NTS1
  • Endothelin-1 receptor
  • Glucocorticoid receptor
  • High-affinity choline transporter
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Imidazoline receptor 1 (I1R)
  • Kappa-type opioid receptor
  • Melanin-concentrating hormone receptor
  • Melanocortin receptor 4
  • Melatonin receptor
  • Mitogen-activated protein kinase 14
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neuronal acetylcholine receptor Alpha-4/Beta-2
  • Neuropeptide Y receptor type 1
  • Potassium voltage-gated channel subfamily H member 2
  • Ribosyldihydronicotinamide dehydrogenase [quinone]
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Tyrosine-protein kinase Lyn
  • CHEMBL1242923
  • N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]-piperidin-4-yl}-2-phenylacetamide
69 Ki 1 IC50
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • CAMK2B
  • Casein kinase I isoform alpha
  • Ceramide kinase
  • Citron Rho-interacting kinase
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cytochrome P450 3A
  • DNA-dependent protein kinase
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • Dual specificity mitogen-activated protein kinase kinase 6
  • Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)
  • Ephrin type-B receptor 4
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 3
  • Focal adhesion kinase 1
  • Hepatocyte growth factor receptor
  • Inhibitor of NF-kappa-B kinase alpha/beta
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Interleukin-1 receptor-associated kinase 4
  • MAP kinase ERK1
  • MAP kinase-activated protein kinase 5
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 11
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase kinase kinase 14
  • Mitogen-activated protein kinase kinase kinase 7
  • Mitogen-activated protein kinase kinase kinase 8
  • PKC alpha and beta-2
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
  • Platelet-derived growth factor receptor
  • Protein kinase C iota type/zeta type
  • Protein kinase C, PKC; classical/novel
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Rho-associated protein kinase 1
  • Ribosomal protein S6 kinase
  • Ribosomal protein S6 kinase alpha 2
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase ATR
  • Serine/threonine-protein kinase Aurora-C
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase DCLK1
  • Serine/threonine-protein kinase MST2
  • Serine/threonine-protein kinase NEK2
  • Serine/threonine-protein kinase PAK 2
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase Sgk1
  • Serine/threonine-protein kinase TBK1
  • Sphingosine kinase 1
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase FES
  • 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
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
  • CHEMBL4248525
3 Ki 61 IC50 3 Kd 3 EC50
  • Bcl-2-like protein 11
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Dihydrofolate reductase
  • Dihydrofolate reductase; T. gondii vs rat
  • Folate receptor alpha
  • Folate receptor beta
  • Folate transporter 1
  • High mobility group protein B1
  • LAP4
  • Multidrug resistance-associated protein 4
  • Proton-coupled folate transporter
  • Thymidylate synthase/GAR transformylase/AICAR transformylase
  • karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b
  • (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate
  • (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
  • (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate
  • (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate
  • L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS]
  • MLS001401431
  • SMR000449324
  • cid_165528