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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
13 Ki 88 IC50 1 Kd
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • GAR transformylase
  • Glycinamide ribonucleotide formyltransferase (GARFTase)
  • Proton-coupled folate transporter
  • Serine hydroxymethyltransferase, cytosolic
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)
  • (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
  • LY231514
  • PEMETREXED
  • Pemetrexed
96 Ki 4 IC50 2 Kd
  • β-Carbonic anhydrase 2 (CA 2)
  • Alpha carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonate dehydratase
  • Carbonic Anhydrase (hpCA)
  • Carbonic Anhydrase (mtCA 1)
  • Carbonic Anhydrase (mtCA 3)
  • Carbonic Anhydrase 2 (Can2)
  • Carbonic Anhydrase III
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Carbonic anhydrase, alpha family
  • Delta carbonic anhydrase
  • Neuraminidase A
  • Thiopurine S-methyltransferase
  • beta-Carbonic Anhydrase
  • 4-carboxybenzenesulfonamide 1
  • 4-sulfamoylbenzoic acid
  • Benzoic Acid deriv. 31
  • CHEMBL414
  • JMC522226 Compound 22
  • JMC523116 Compound 22
  • JMC52646 Compound 23
  • aromatic/heteroaromatic sulfonamide 23
92 IC50 9 EC50
0 ΔG°
  • ATP-binding cassette sub-family G member 2
  • Canalicular multispecific organic anion transporter 2
  • Cruzipain
  • Gag-Pol polyprotein (Capsid Protein)
  • HIV-1 Reverse transcriptase (HIV-1 RT)
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 2 (MRP2)
  • P-glycoprotein 1
  • Potassium voltage-gated channel subfamily H member 2
  • Reverse Transcriptase
  • Reverse transcriptase
  • Reverse transcriptase (HIV-1 RT)(1-350)
  • Sodium channel protein type 5 subunit alpha
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Voltage-gated potassium channel subunit Kv4.3
  • 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
  • 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
  • 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
  • 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile
  • CHEMBL308954
  • ETRAVIRINE
  • Etravirine (ETR)
  • Etravirine (ETV)
  • Etravirine (TMC125)
  • TMC 125
  • TMC-125
15 Ki 82 IC50 2 Kd 2 EC50 0 Other
  • 3-oxoacyl-acyl-carrier protein reductase
  • ATP-binding cassette sub-family G member 2
  • Acetylcholinesterase
  • Acid phosphatase (acpA)
  • Acidic alpha-glucosidase
  • Aldose reductase
  • Aldose reductase (AR)
  • Alpha-glucosidase MAL62
  • Amyloid β-protein (Aβ42)
  • Androgen Receptor
  • Arachidonate 15-lipoxygenase
  • Arachidonate 5-lipoxygenase
  • Arginase
  • Aryl hydrocarbon receptor
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • Beta amyloid A4 protein
  • Beta-secretase 1
  • CDGSH iron-sulfur domain-containing protein 1
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Casein kinase II subunit alpha 3
  • Cell division protein kinase 5
  • Cholinesterases
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cyclin-Dependent Kinase 6 (CDK6)
  • Cyclin-dependent kinase 6
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 1B1
  • Cytochrome P450 2C9
  • Death-associated protein kinase 1
  • Dihydroorotate dehydrogenase (fumarate)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase III
  • Enoyl-acyl-carrier protein reductase
  • Epidermal growth factor receptor
  • Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
  • Estradiol 17-beta-dehydrogenase 2
  • Estrogen-related receptor alpha
  • Glycogen Synthase Kinase-3, beta
  • Glyoxalase 1 (GLO1)
  • Histone-lysine N-methyltransferase SETD7
  • Human immunodeficiency virus type 1 integrase
  • Inositol hexakisphosphate kinase 2
  • Inositol polyphosphate multikinase
  • Matrix metalloproteinase-1 (cd-MMP-1)
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Myeloperoxidase
  • NADPH oxidase 4
  • Neuraminidase
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • Pancreatic lipase
  • Prolyl endopeptidase
  • Proteasome subunit beta type-1/beta type-5
  • Protein E6
  • Reverse transcriptase
  • Serine/threonine-protein kinase pim-1
  • Sialidase
  • Sialidase 2
  • Transient receptor protein 5 (TRPC5)
  • Trypsin
  • Tyrosinase
  • Tyrosine-protein kinase receptor FLT3
  • VHL/Tyrosine-protein kinase Yes
  • X-linked inhibitor of apoptosis protein (XIAP)
  • Xanthine dehydrogenase/oxidase
  • alpha-Amylase
  • beta-Glucuronidase (β-glucuronidase)
  • carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-chromen-4-one
  • CHEMBL150
  • Kaempferol (18)
  • Kaempferol (Kmp)
  • cid_5280863
  • kaempferol
93 Ki 9 IC50
  • 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 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adrenergic alpha1B
  • Adrenergic receptor alpha-2
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Angiotensin II AT2
  • Angiotensin II type 1a (AT-1a) receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Bile salt export pump
  • Calcium channel
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD3
  • Delta-type opioid receptor
  • GRIA3
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Gamma-aminobutyric acid type B receptor subunit 1
  • Glutamate receptor ionotropic, NMDA 1
  • Glutamate receptor ionotropic, kainate 1
  • Glycine
  • Glycine, non-strychnine
  • HTR1D
  • HTR2C
  • HTR4
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 receptor
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Mu-type opioid 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
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP4 subtype
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Sigma non-opioid intracellular receptor 1
  • Sigma-2
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • adrenergic Alpha2
  • Amisulpride
  • CAS_71675-85-9
  • NSC_2159
  • US10167256, Amisulpride
  • US10259786, Amisulpride
102 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
  • 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
  • Sodium-dependent serotonin transporter
  • Vasopressin V1b receptor
  • Vasopressin V2 receptor
  • CAS_595
  • CAS_67678
  • D-cystine
  • L-cystine
  • NSC_595
  • NSC_67678