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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
9 Ki 18 IC50 1 EC50
  • Caspase-1
  • Caspase-2
  • Caspase-3
  • Caspase-4
  • Caspase-6
  • Caspase-7
  • Caspase-8
  • Caspase-9
  • (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin
  • 5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL62993
  • Isatin Sulfonamide 29
  • Pyrrolidine Isatin Analogue 10
11 Ki 3 IC50 1 Kd 13 EC50
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • Cytochrome P450 2A5
  • Cytochrome P450 2A6
  • Lysyl oxidase homolog 2
  • Phenylethanolamine N-methyltransferase
  • Thrombin & trypsin
  • Trace amine-associated receptor 1
  • Trace amine-associated receptor 1 (TAAR1)
  • Trypsin-1
  • trace amine-associated receptor 1
  • 14C-phenylethylamine
  • 2-phenylethan-1-amine
  • CHEMBL610
  • phenylethylamine
28 Ki
  • Carbonic Anhydrase III
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 15
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Carbonic anhydrases; II & IX
  • 1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridiniumperchlorate
  • 2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium perchlorate
  • CHEMBL352535
  • Compound 10
  • pyridinium deriv. 10
18 Ki 10 IC50
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin-1
  • (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy}phenyl)propanoic acid
  • CHEMBL19902
  • DX-9065a
8 Ki 15 IC50 5 EC50
  • Cathepsin B
  • Cathepsin D
  • Cathepsin K
  • Cathepsin S
  • Procathepsin L
  • Balicatib
  • CHEMBL371064
  • N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)
  • N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide
  • basic piperazine-containing compound, 10
4 Ki 19 IC50 5 EC50
  • Cathepsin B
  • Cathepsin K
  • Cathepsin S
  • Procathepsin L
  • (2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
  • CHEMBL184514
  • JMC463709 (R)-2
  • piperazine-containing compound, 11
10 Ki 18 IC50
  • Adrenergic Alpha
  • Aldehyde oxidase
  • Cytochrome P450 3A
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Multidrug and toxin extrusion protein 1
  • Multidrug and toxin extrusion protein 2
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Potassium-transporting ATPase alpha chain 1/beta chain
  • Solute carrier family 22 member 11
  • Solute carrier family 22 member 2
  • Solute carrier family 22 member 6
  • Solute carrier family 22 member 8
  • (Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide
  • (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine
  • (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine
  • 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine
  • 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
  • 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine)
  • 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine)
  • 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide
  • 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine)
  • ; N''''''''-cyano-N-methyl-N''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine
  • CHEMBL30
  • CIMETIDINE
  • Cimetidine
  • Eureceptor
  • N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
  • N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine
  • N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
  • N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine)
  • N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine)
  • N''''''''-cyano-N-methyl-N''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine)
  • N-Cyano-N''''-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine)
  • N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-Cyano-guanidine
  • N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-cyano-guanidine(Cimetidine)
  • N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine)
  • N-cyanomethyl-N''''-methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine)
  • N-methyl-N''''-cyano-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine
  • N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine
  • N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine)
  • N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem
  • N-tert-Butyl-N''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine)
  • Tagamet
  • Tagamet HB
  • Tagamet hb 200
  • cemitidine
19 Ki 4 IC50 2 Kd 3 EC50
  • D(2) dopamine receptor
  • D-Amino Acid Oxidase (DAAO)
  • GABA A Alpha2Beta1Gamma2
  • GABA A receptor alpha-3/beta-2/gamma-2
  • GABA A receptor alpha-6/beta-2/gamma-2
  • GABA B rho 1
  • GABA receptor gamma-1 subunit
  • GABA receptor rho-2 subunit
  • GABA transporter
  • GABA-C receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))
  • Gamma-aminobutyric acid type B receptor subunit 1
  • 5-(aminomethyl)-1,2-oxazol-3-ol
  • Agarin
  • CHEMBL273481
  • Muscimol
  • Pantherine
28 IC50
  • Retinol-binding protein 4
  • Transthyretin
  • spa binding assay for rbp4
  • US10072016, Compound 81
  • US10407433, Compound 81
  • US9434727, 80
  • US9434727, 81
  • US9777010, Compound 81
28 Ki
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US10100049, Example 4
  • US10183942, Example 4-2
  • US10526330, Example 4
28 Ki
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US10100049, Example 9
  • US10183942, Example 9-2
  • US10526330, Example 9
28 IC50
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Estradiol receptor beta (ERβ)
  • Glyceraldehyde-3-phosphate dehydrogenase liver
  • Heat Shock 70kDa Protein 1
  • Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • MKP-3
  • NS3
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • core protein
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • heat shock 70kDa protein 8 isoform 2
  • lens epithelium-derived growth factor p75
  • neuronal munc18-1 binding protein
  • 6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
  • 6-oxidanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
  • MLS-0015717.0001
  • cid_654089
18 IC50 10 EC50
  • Apoptosis regulator Bcl-2
  • Axin-1/Glycogen synthase kinase-3 beta
  • BCL-W
  • Beta lactamase
  • Bfl-1
  • D(1A) dopamine receptor
  • Dual Specificity Protein Phosphatase 1
  • Ephrin type-B receptor 4
  • Heat shock protein HSP 90-alpha
  • Isoform Bcl-X(L)
  • LANA
  • MKP-3
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase kinase kinase kinase 2
  • Serine/threonine-protein kinase 33
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • beta-lactamase
  • glutathione S-transferase
  • metallo-beta-lactamase IMP-1
  • MLS000080844
  • SMR000044769
  • cid_663844
10 Ki 17 IC50 1 EC50
  • Bromodomain adjacent to zinc finger domain protein 2A
  • Bromodomain adjacent to zinc finger domain protein 2B
  • Bromodomain and PHD finger-containing protein 3
  • Bromodomain and WD repeat-containing protein 1
  • Bromodomain testis-specific protein
  • Bromodomain-containing protein 1
  • Bromodomain-containing protein 2
  • Bromodomain-containing protein 3
  • Bromodomain-containing protein 4
  • Bromodomain-containing protein 7
  • CREB-binding protein
  • Cat eye syndrome critical region protein 2
  • E3 ubiquitin-protein ligase TRIM33
  • Histone acetyltransferase KAT2A/KAT2B
  • Probable global transcription activator SNF2L2
  • Protein polybromo-1
  • Transcription activator BRG1
  • Transcription initiation factor TFIID subunit 1-like
  • Transcription intermediary factor 1-alpha
  • N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
  • US9776990, Example 40
21 IC50 7 EC50
  • DNA dC->dU-editing enzyme APOBEC-3G
  • G protein signalling regulator 19
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • MPI protein
  • MSRA protein
  • Mannose-6-phosphate isomerase
  • RGS7
  • Regulator of G-protein signaling 8
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • glucose-6-phosphate dehydrogenase
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • hexokinase
  • large T antigen
  • neutrophil cytosolic factor 1
  • phosphatase, orphan 1
  • phosphomannomutase 2
  • regulator of G-protein signaling 4
  • regulator of G-protein signalling 16
  • 3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benzenesulfonamide
  • MLS000773738
  • N,N-dimethyl-3-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzenesulfonamide
  • N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
  • SMR000364449
  • cid_5040456
4 Ki 6 IC50 18 EC50
  • DNA dC->dU-editing enzyme APOBEC-3G
  • G protein signalling regulator 19
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • Guanine nucleotide-binding protein G(o), alpha subunit 1
  • RGS7
  • Regulator of G-protein signaling 8
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • probable DNA dC->dU-editing enzyme APOBEC-3A
  • regulator of G-protein signaling 4
  • regulator of G-protein signalling 16
  • 3-chloranyl-N-(3-morpholin-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide
  • 3-chloro-N-(3-morpholin-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide
  • 3-chloro-N-(3-morpholinopropyl)-6-nitro-benzothiophene-2-carboxamide
  • 3-chloro-N-[3-(4-morpholinyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide
  • MLS000684370
  • SMR000295947
  • cid_2225472
26 IC50 2 EC50
  • Arachidonate 15-lipoxygenase
  • Arachidonate 5-lipoxygenase
  • Cyclooxygenase
  • Phospholipase A2 group 1B
  • Prostaglandin G/H synthase (cyclooxygenase)
  • 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine
  • 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine (BW-755C)
  • 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755 C)
  • 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755C)
  • 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-3-pyrazolamine
  • BW-755C
  • CHEMBL274642
27 Ki 1 IC50
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD2
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • CHEMBL274491
  • N-((2S,3S)-1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide
  • N-(1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide
  • Nemonapride
  • YM-09151-2
21 Ki 7 IC50
  • Acetylcholinesterase
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholecystokinin receptor
  • Cholinesterase
  • GABA receptor alpha-1/beta-3/gamma-2 subunit
  • GABA receptor alpha-2/beta-3/gamma-2 subunit
  • GABA receptor alpha-3/beta-3/gamma-2 subunit
  • GABA receptor alpha-5/beta-3/gamma-2 subunit
  • Multidrug resistance-associated protein 4
  • Peripheral-Type Benzodiazepine Receptor
  • 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide
  • 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
  • CDP
  • CHEMBL451
  • CHLORDIAZEPOXIDE
  • clopoxide
  • methaminodiazepoxide
1 Ki 14 IC50 13 Kd
  • Acetylcholinesterase
  • Choline Acetyltransferase
  • Muscarinic acetylcholine receptor
  • 2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium chloride
  • CHEMBL748
  • PRALIDOXIME
  • PRALIDOXIME CHLORIDE
  • Pralidoxine chloride
23 Ki 5 IC50
  • Cholecystokinin A receptor
  • Cholecystokinin receptor
  • GABA A Alpha2Beta1Gamma2
  • GABA A receptor alpha-3/beta-2/gamma-2
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Gamma-aminobutyric acid type B receptor subunit 1
  • Translocator protein
  • 1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one
  • 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • 5-(o-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • CHEMBL452
  • CLONAZEPAM
18 Ki 4 IC50 6 EC50
  • Adrenergic receptor alpha
  • Adrenergic receptor beta
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-2 adrenergic receptor and beta-3 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Dopamine receptor
  • Prostanoid TP receptor
  • TBXA2R
  • Thromboxane A2 receptor
  • 1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol
  • 1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • CHEMBL299175
  • R(+)-TMQ
  • TMQ, Racemic
  • Tretoquinol
26 Ki 2 IC50
  • 5-HT5
  • 5-HT5B
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • Acetylcholinesterase
  • HTR1F
  • HTR6
  • HTR7
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Sodium-dependent serotonin transporter
  • 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
  • 3-[2-(dimethylamino)ethyl]-5-indolol
  • 3-[2-(dimethylamino)ethyl]indol-5-ol
  • 3-[beta-(dimethylamino)ethyl]-5-hydroxyindole
  • 5-hydroxy-N,N-dimethyltryptamine
  • Bufotenin
  • Bufotenine
  • CHEMBL416526
  • DM5-HT
  • DMT,5-OH
  • N,N-dimethylserotonin
3 Ki 25 IC50
  • 3',5'-cyclic phosphodiesterase
  • Calcium channel (Type L)
  • Class I phosphodiesterase PDEB1
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Monocarboxylate transporter 4
  • PDE5A/PDE6C
  • Phosphodiesterase 3 and 5 (PDE3 and PDE5)
  • Phosphodiesterase 7
  • Phosphodiesterase 8
  • Sodium channel protein type I I alpha subunit
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4D
  • 2-Acetoxy-Benzoic Acid
  • 3-Isobutyl-Methylxanthine
  • CHEBI:34795
  • ISOBUTYLMETHYLXANTHINE
28 Ki
  • ADRA2C
  • Adrenergic alpha1B
  • Adrenergic receptor alpha-2
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • adrenergic Alpha2
  • 6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
  • CHEMBL114166
  • SK&F-104078
  • SK-104078
  • SKF 104078
2 Ki 26 IC50
  • Bile salt export pump
  • Calcium channel (Type L)
  • Dihydrofolate reductase
  • Potassium voltage-gated channel subfamily H member 2
  • Sigma non-opioid intracellular receptor 1
  • Sodium channel protein type 10 subunit alpha
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • Sodium channel protein type I I alpha subunit
  • Sodium channel protein type II alpha subunit
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine
  • 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine(lamotrigine)
  • 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
  • BW-430C
  • CHEMBL741
  • LAMOTRIGINE
  • Lamictal
  • Lamictal cd
6 IC50 2 Kd 20 EC50
  • Retinoic acid receptor RXR-alpha
  • Retinoid X receptor gamma/retinoic acid receptor alpha
  • Retinoid receptor
  • 4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
  • CHEMBL32505
7 Ki 21 EC50
  • GRIA3
  • Glutamate receptor 1
  • Glutamate receptor ionotropic, AMPA 2
  • Glutamate receptor ionotropic, AMPA 4
  • Glutamate receptor ionotropic, kainate
  • Glutamate receptor ionotropic, kainate 1
  • Ionotropic glutamate receptor kainate 2/5
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 3
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 6 (mGlu6)
  • Metabotropic glutamate receptor 8
  • (S)-Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid
  • (S)-Amino-(3-oxo-2,3-dihydro-isoxazol-5-yl)-acetic acid
  • CHEMBL30285
28 IC50
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK2
  • Serine/threonine-protein kinase PLK3
  • Serine/threonine-protein kinase PLK4
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • CHEMBL3353347
  • US10358436, Example A24
  • US9907800, Example A24
12 Ki 4 IC50 12 EC50
  • Dopamine receptor D2L/neurotensin receptor NTS1
  • Neurotensin receptor
  • Neurotensin receptor 1
  • CHEMBL415788
27 Ki 1 IC50
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2a and A3
  • Adenosine receptor A3
  • CHEMBL88147
  • N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-acetamide
  • N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N-methyl-2-phenyl-acetamide
  • N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide
22 Ki 6 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • Beta-2 adrenergic receptor
  • CCKBR
  • Cholecystokinin receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • GRIA3
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Histamine H1 receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Sigma non-opioid intracellular receptor 1
  • adrenergic Alpha2
  • 1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
  • CHEMBL115121
  • YM022
  • YM022 Racemate
24 Ki 3 IC50 1 EC50
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 4 (5-HT4)
  • Cerebral cortex alpha adrenergic receptor
  • HTR1D
  • HTR2C
  • HTR4
  • Mu-type opioid receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • adrenergic Alpha2
  • 2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]benzoate
  • 4-Amino-5-chloro-2-methoxy-benzoic acid 2-diethylamino-ethyl ester
  • CHEMBL287045
  • SDZ 205557
  • SDZ-205557
20 Ki 5 IC50 2 Kd 1 EC50
  • NPFF2
  • Neuropeptide FF receptor 1
  • Neuropeptide Y receptor type 1
  • Neuropeptide Y receptor type 2
  • Neuropeptide Y receptor type 5 ( NPY Y5)
  • PPYR1
  • (R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hydroxybenzyl)pentanamide
  • (R)-2-Diphenylacetylamino-5-guanidino-pentanoic acid 4-hydroxy-benzylamide
  • (R)-5-(diaminomethyleneamino)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)pentanamide
  • CHEMBL332347
17 Ki 11 IC50
  • CCKBR
  • Cholecystokinin B
  • Cholecystokinin B receptor
  • Cholecystokinin receptor
  • Potassium voltage-gated channel subfamily H member 2
  • 1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea((S)L365_260)
  • CHEMBL70380
  • L-365,260
27 IC50 1 EC50
  • CDK2/CycE
  • CDK4/Cyclin D3
  • CDK6/CycD3
  • CDK7/Cyclin H/MNAT1
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cyclin-Dependent Kinase 9 (CDK9)
  • Cyclin-dependent kinase 1
  • Dual specificity protein kinase CLK1/CLK4
  • Dual specificity protein kinase CLK2
  • Dual specificity protein kinase CLK3
  • Epidermal growth factor receptor
  • Interferon-induced, double-stranded RNA-activated protein kinase
  • PKC alpha and beta-2
  • Platelet-derived growth factor receptor
  • Protein kinase C alpha type
  • cAMP-dependent protein kinase (PKA)
  • CHEMBL367625
  • N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-ethyl-9H-purine-2,6-diamine
21 Ki 7 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate reductase
  • 5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine
  • 5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine
  • CHEMBL274031
2 Ki 7 IC50 19 EC50
  • GRM7
  • GRM8
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 3
  • Metabotropic glutamate receptor 4 (mGluR4)
  • Metabotropic glutamate receptor 5
  • Metabotropic glutamate receptor 6
  • CHEMBL3616847
28 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • 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
  • Imidazoline receptor 1 (I1R)
  • Muscarinic acetylcholine receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent serotonin transporter
  • 7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
  • CHEMBL6310
17 Ki 11 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate reductase
  • 5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine
  • CHEMBL19633
  • Diaveridine
3 Ki 25 Kd
  • Bromodomain and extra-terminal motif (BET)
  • Bromodomain-containing protein 2
  • Bromodomain-containing protein 3
  • Bromodomain-containing protein 4
  • CREB-binding protein
  • CHEMBL3770724
12 Ki 16 IC50
  • Cytochrome P450 2C19
  • Monoamine transporters; Norepininephrine & dopamine
  • Norepinephrine Monoamine transporters
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Transporter
  • 2-(Diphenyl-methanesulfinyl)-acetamide
  • 2-(benzhydrylsulfinyl)acetamide
  • 2-[(diphenylmethyl)sulfinyl]acetamide
  • Ambrisentan
  • CEP-1538
  • CHEMBL1373
  • CRL-40476
  • MODAFINIL
  • Provigil
  • US9862679, Compound (+-)-modafinil
1 Ki 26 IC50 1 EC50
  • Bromodomain testis-specific protein
  • Bromodomain-containing protein 4
  • DNA-dependent protein kinase
  • 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
  • Potassium voltage-gated channel subfamily H member 2
  • Serine-protein kinase ATM
  • Serine/threonine-protein kinase ATR
  • 8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-one
  • 8-Dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one
  • 8-dibenzothiophen-1-yl-2-morpholin-4-yl-chromen-4-one
  • CHEMBL188678
  • NU-7432
  • NU-7441
3 Ki 23 IC50 2 EC50
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • Bile acid receptor
  • EBifunctional epoxide hydrolase 2
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Estrogen-related receptor alpha
  • Nuclear receptor subfamily 1 group I member 2
  • Progesterone receptor
  • (13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (7R,13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (7R,8R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentyldihydrosulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • 13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • CHEMBL1358
  • FULVESTRANT
  • Faslodex
  • Fluvestrant
  • ICI-182780
  • US10227334, Fulvestrant
  • ZD-9238
2 Ki 26 IC50
  • Dihydrofolate reductase
  • Folate receptor alpha
  • Folate receptor beta
  • Folate transporter 1
  • GAR transformylase
  • Glycinamide ribonucleotide formyltransferase (GARFTase)
  • Proton-coupled folate transporter
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase/GAR transformylase/AICAR transformylase
  • (S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)benzamido)pentanedioic acid
  • (S)-2-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-butyl]-benzoylamino}-pentanedioic acid
  • CHEMBL365307
  • N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic Acid
28 IC50
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Epidermal growth factor receptor
  • Epithelial discoidin domain-containing receptor 1
  • Hepatocyte growth factor receptor
  • Mast/stem cell growth factor receptor Kit
  • Platelet-derived growth factor receptor
  • Proto-oncogene tyrosine-protein kinase Src
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor FLT3
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • Vascular endothelial growth factor receptor 2
  • mTOR/FKBP12A/FKBP12B
  • CHEMBL3809489
27 Ki 1 Kd
  • 5-HT2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • 11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol
  • 11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-6-ol
  • 3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine
  • 7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecin-3-ol
  • CHEMBL1204122
  • CHEMBL201170
  • LE404
15 IC50 12 Kd 1 EC50
  • Activin receptor type-1
  • Activin receptor type-2B
  • Bromodomain-containing protein 2
  • Bromodomain-containing protein 4
  • Bromodomain-containing protein 7
  • Bromodomain-containing protein 9
  • Cat eye syndrome critical region protein 2
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • TGF-beta receptor type-1
  • CHEMBL3823478
15 IC50 13 Kd
  • Activin receptor type-1
  • Activin receptor type-2B
  • Bromodomain-containing protein 2
  • Bromodomain-containing protein 4
  • Bromodomain-containing protein 7
  • Bromodomain-containing protein 9
  • Cat eye syndrome critical region protein 2
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • TGF-beta receptor type-1
  • CHEMBL3823101
1 Ki 27 IC50
  • Mast/stem cell growth factor receptor Kit
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • Platelet-derived growth factor receptor alpha
  • Proto-oncogene tyrosine-protein kinase Src
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase FRK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase Yes
  • CHEMBL3824089
  • US10294227, Code 506
21 Ki 7 IC50
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 7
  • Adenosine receptor A3
  • Angiotensin II type 1a (AT-1a)/1b (AT-1b) receptor
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • D(1A) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Gonadotropin releasing hormone 1 (GnRHR1)
  • Gonadotropin-releasing hormone receptor
  • Histamine H2 Receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M4
  • Neurokinin 1 receptor
  • Platelet activating factor receptor
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • 5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxylic Acid [4,6-dimethoxy-2-(3-morpholin-4-yl-propylamino)-pyrimidine-5-yl]-amide
  • CHEMBL210514
28 IC50
  • 1,3-beta-glucan synthase component GLS2
  • 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
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • CHEMBL3900554
13 Ki 13 IC50 2 Kd
  • GRIA1
  • GRIA2
  • GRIK1
  • Glutamate receptor ionotropic AMPA
  • Glutamate receptor ionotropic kainate 5
  • Glutamate receptor ionotropic, NMDA 1
  • Glutamate receptor ionotropic, kainate 1
  • Glutamate receptor ionotropic, kainate 2
  • Glutamate-Kainate 7
  • Metabotropic glutamate receptor 6
  • NMDA receptor subunit 2C (GluN2C)
  • 2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfonic acid amide
  • 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(f)quinoxaline
  • 2,3-dihydroxy-6-nitro-7-sulfamoylbenzo(f)quinoxaline
  • 3-Hydroxy-6-nitro-7-sulfamoyl-benzo[f]quinoxalin-2-ol anion
  • 6-Nitro-2,3-dioxo-1,2,3,4,4a,10b-hexahydro-benzo[f]quinoxaline-7-sulfonic acid amide
  • 6-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-benzo[f]quinoxaline-7-sulfinic acid amide
  • 6-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-benzo[f]quinoxaline-7-sulfonic acid amide
  • 6-Nitro-2,3-dioxo-2,3-dihydro-benzo[f]quinoxaline-7-sulfonic acid amide
  • 6-nitro-2,3-dioxo-1,2,3,4-tetrahydrobenzo[f]quinoxaline-7-sulfonamide
  • CHEMBL222519
21 Ki 6 IC50 1 Kd
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • HIV-1 protease
  • Human immunodeficiency virus type 1 protease
  • Multidrug resistance-associated protein 4
  • Protease
  • 141 W94
  • 141W94
  • AMPRENAVIR
  • Agenerase
  • Amprenavir
  • CHEBI:40050
  • KVX-478
  • VX-478
26 IC50 2 EC50
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cyclin-dependent kinase 1
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • MAP/microtubule affinity-regulating kinase 2
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • PDGFR-beta/Platelet-derived growth factor receptor alpha
  • Protein kinase C delta type
  • Protein kinase C, gamma
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • Ribosomal protein S6 kinase alpha 1
  • Ribosomal protein S6 kinase alpha-3
  • Serine/threonine-protein kinase CHK2
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase Sgk1
  • Serine/threonine-protein kinase c-TAK1
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
  • 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5Hdibenzo[b,e][1,4]diazepin-8-yl]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
  • CHEMBL389745
28 IC50
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Fibroblast activation protein alpha
  • Xaa-Pro aminopeptidase 1
  • Xaa-Pro dipeptidase
  • (2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihydro[[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine hydrochloride
  • CHEMBL536089
28 IC50
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Fibroblast activation protein alpha
  • Xaa-Pro aminopeptidase 1
  • Xaa-Pro dipeptidase
  • 2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro[[1,2,4]triazolo[4,3-a]pyrazin-8-yl](4-fluorophenyl)methanol hydrochloride
  • CHEMBL536536
28 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDK2/CycE
  • Casein kinase II subunit alpha'
  • Cyclin-dependent kinase 2
  • Cytoplasmic tyrosine-protein kinase BMX
  • Interleukin-1 receptor-associated kinase 4
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
  • Voltage-gated potassium channel
  • CHEMBL4094440
  • US10214511, Example 7
  • US10676460, Example 7
1 Ki 22 IC50 4 EC50
0 ΔG°
  • Acetylcholinesterase
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Apoptotic peptidase activating factor 1
  • Caspase-9
  • Chain E, Fragment Double-D From Human Fibrin
  • Cruzipain
  • Dihydrolipoamide dehydrogenase
  • Dihydrolipoyl dehydrogenase
  • Glutathione reductase
  • Glutathione reductase (GR)
  • Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)
  • Microtubule-associated protein tau
  • POsterior Segregation family member (pos-1)
  • RecName: Full=Zinc finger protein mex-5
  • Tau
  • Thioredoxin reductase 1 (TrxR)
  • lens epithelium-derived growth factor p75
  • neutrophil cytosolic factor 1
  • 3,7-bis(dimethylamino)phenothiazin-5-ium chloride
  • Basic Blue 9
  • CHEMBL405110
  • Methylenblau
  • Methylene Blue anhydrous
  • Methylene blue
  • Methylene blue (10)
  • SAMPL5, CBC-G10
  • azul de metileno
  • bleu de methylene
  • cid_6099
  • methylthioninium chloride
8 IC50 20 Kd
  • Casein kinase I isoform epsilon
  • Chaperone activity of bc1 complex-like, mitochondrial
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Epithelial discoidin domain-containing receptor 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 9
  • Ribosomal protein S6 kinase alpha 4
  • Ribosomal protein S6 kinase alpha-3
  • Serine/threonine protein kinase NLK
  • Serine/threonine-protein kinase 36
  • Serine/threonine-protein kinase GAK
  • 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
  • CHEMBL1090089
  • pamapimod
28 IC50
  • Aurora kinase A/Targeting protein for Xklp2
  • Casein kinase II subunit alpha
  • Cytochrome P450 3A
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 3
  • Focal adhesion kinase 1
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • MAP kinase-activated protein kinase 2
  • Mitogen-activated protein kinase 10
  • Platelet-derived growth factor receptor beta
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Rho-associated protein kinase 2
  • Ribosomal protein S6 kinase (P70S6K)
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase Fes/Fps
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • CHEMBL410659
  • cis-3-(3-(azetidin-1-ylmethyl)cyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
  • cis-3-(3-azetidin-1-ylmethylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-ylamine
6 Ki 17 IC50 2 Koff 3 Kon
  • Acetylcholinesterase
  • Carboxylic ester hydrolase
  • Cholinesterases
  • CHEMBL1255901
  • Huperzine A
1 Ki 24 IC50 3 EC50
  • Androgen Receptor
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Estrogen receptor
  • Glucocorticoid
  • Glucocorticoid receptor
  • Interleukin-5
  • Interleukin-5 receptor subunit alpha
  • Mineralocorticoid receptor
  • Multidrug resistance-associated protein 4
  • Progesterone receptor
  • TSC22 domain family protein 3
  • BUDESONIDE
  • US10869929, Compound Budesonide
24 Ki 4 IC50
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Lysyl oxidase
  • Lysyl oxidase homolog 2
  • Lysyl oxidase homolog 3
  • Lysyl oxidase homolog 4
  • CHEMBL1356238
2 Ki 26 IC50
  • ACEI-ACE2
  • Angiotensin-converting enzyme
  • Angiotensin-converting enzyme-related carboxypeptidase
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Dipeptidyl peptidase 4
  • Multidrug resistance-associated protein 4
  • ENALAPRILAT
3 Ki 4 IC50 5 Kd 16 EC50
  • Ecto-5'-nucleotidase (e5'NT)
  • Heat shock protein 75 kDa, mitochondrial
  • Heat shock protein 90 beta
  • Ketopantoate reductase
  • Mitogen-activated protein kinase kinase kinase 7
  • P2X purinoceptor 1
  • P2X purinoceptor 2
  • P2X purinoceptor 3
  • P2X purinoceptor 4
  • P2X purinoceptor 5
  • P2X purinoceptor 6
  • P2Y purinoceptor 1
  • Phosphatidylinositol 4-kinase type 2-alpha
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y12
  • Purinergic receptor P2Y2
  • Pyrimidinergic receptor P2Y6
  • Sensor protein kinase WalK
  • heat shock 70kDa protein 8 isoform 1
  • ADENOSINE DIPHOSPHATE
  • ADP
23 Ki 5 EC50
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M2 and M4
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • CHEMBL390842
22 Ki 6 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • CHEMBL2165126
  • UNC10000006
  • US9156822, 2
26 Ki 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 7
  • Adrenergic receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Kappa-type opioid receptor
  • Monoamine transporter
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M2 and M4
  • Muscarinic acetylcholine receptor M5
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • CHEMBL2203406
5 Ki 18 IC50 5 EC50
  • Androgen Receptor
  • Androgen receptor
  • Androgen receptor/Baculoviral IAP repeat-containing protein 2
  • ENZALUTAMIDE
  • US10053433, FC 4.129
  • US10806720, Compound Enzalutamide
  • Xtandi
28 Ki
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Delta carbonic anhydrase
  • CHEMBL2324864
28 IC50
  • CREB-binding protein/p53
  • Cytochrome P450 3A
  • DNA-dependent protein kinase
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • 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
  • Serine-protein kinase ATM
  • Serine/threonine-protein kinase ATR
  • CHEMBL2396661
3 Ki 24 IC50 1 Kd
  • Cytochrome P450 1A
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • G protein-coupled receptor 44
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP2 subtype
  • Prostaglandin E2 receptor EP4 subtype
  • Prostaglandin F2-alpha receptor
  • Prostanoid DP receptor
  • Prostanoid IP receptor
  • Prostanoid TP receptor
  • CHEMBL2442750
28 IC50
  • Cytochrome P450 11B1
  • Cytochrome P450 11B1, mitochondrial
  • Cytochrome P450 11B2
  • Cytochrome P450 11B2 (CYP11B2)
  • Cytochrome P450 11B2, mitochondrial
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • CHEMBL3099695
28 IC50
  • Aurora kinase A/B
  • Aurora kinase A/Targeting protein for Xklp2
  • BRAF/CRAF
  • Calmodulin/Proto-oncogene tyrosine-protein kinase Src
  • Casein kinase II subunit alpha
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-dependent kinase 2
  • Ephrin type-B receptor 4
  • Epidermal growth factor receptor
  • Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Mitogen-activated protein kinase kinase kinase 8
  • NUAK family SNF1-like kinase 1
  • Platelet-derived growth factor receptor beta
  • RAC-alpha serine/threonine-protein kinase
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK4
  • 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)
  • ALTERNARIOL
  • Alternariol
  • CHEBI:64983
28 IC50
  • CYP3A-M
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 4A11
  • Cytochrome P450 4F12
  • Cytochrome P450 4F3
  • Cytochrome P450 4F8
  • Cytochrome P450 4Z1
  • Phylloquinone omega-hydroxylase CYP4F2
  • CHEMBL4442292
16 Ki 4 IC50 8 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2B
  • Adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Beta-1 adrenergic receptor
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • CHEMBL4476784
28 IC50
  • 1,3-beta-glucan synthase component GLS2
  • 3',5'-cyclic phosphodiesterase
  • JAK1/TYK2
  • JAK2/JAK1
  • JAK2/TYK2
  • JAK3/JAK1
  • Mast/stem cell growth factor receptor Kit
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • CHEMBL4526283
20 Ki 6 IC50 2 EC50
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • ADRA2C
  • Adrenergic receptor alpha-2
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Bile salt export pump
  • G-protein subunit alpha-16
  • Serotonin (5-HT) receptor
  • adrenergic Alpha2
  • neutrophil cytosolic factor 1
  • trace amine-associated receptor 1
  • 2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
  • 2-Benzyl-4,5-dihydro-1H-imidazole
  • 2-benzyl-2-imidazoline;hydrochloride
  • 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
  • MLS000559484
  • SMR000149600
  • Tolazoline
  • cid_6048
3 Ki 9 IC50 15 Kd
0 ΔG°
  • Beta-lactamase AmpC
  • Choline acetylase
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-dependent kinase 2
  • Fatty acid-binding protein 4 (FABP4)
  • Fatty acid-binding protein 5 (FABP5)
  • Fatty acid-binding protein 5 (FABP5)(DSm)
  • Fatty acid-binding protein 5 (FABP5)(NLSm)
  • Intestinal fatty acid-binding protein (hIFABP)
  • Mitogen-activated protein kinase 12
  • Mitogen-activated protein kinase 14
  • Protein cereblon/Cyclin-dependent kinase 2
  • Transthyretin
  • p38 MAP kinase alpha/beta
  • p38 delta/gamma
  • 1-anilinonaphthalene-8-sulfonic acid
  • 8-Anilino-1-naphthalenesulfonic acid
  • ANS
  • Anilinonaphthalene-8-sulfonic acid (ANS)
  • BDBM50126831
3 Ki 25 IC50
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 4
  • Cyclin-dependent-like kinase 5
  • Glycogen Synthase Kinase-3, beta
  • Glycogen synthase kinase 3
  • Glycogen synthase kinase-3
  • Protein kinase Pfmrk
  • Tyrosine-protein kinase Lck
  • 14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
  • 9-Nitropaullone
  • BDBM84528
  • CHEMBL50894
  • NSC 705701
  • Paullone Analog 1
  • alsterpaullone
2 Ki 18 IC50 8 EC50
  • Adrenergic Alpha
  • Aldehyde oxidase
  • Alpha trans-inducing protein (VP16)
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 2D6 (2D6)
  • DNA topoisomerase II
  • Multidrug resistance-associated protein 4
  • Nuclear receptor coactivator 1
  • Potassium voltage-gated channel subfamily H member 2
  • Topoisomerase II alpha (HuTopoIIα)
  • nuclear receptor coactivator 3 isoform a
  • Amsacrine hydrochloride
  • CHEMBL43
  • MLS002153376
  • N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride
  • N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide;hydrochloride
  • N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
  • N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride
  • SMR000875352
  • cid_148673
  • m-AMSA