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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
32 IC50 21 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 Reference
  • US10813932, Reference Compound
  • US8933228, Ref 2
  • US9242960, 1
  • US9249125, Reference Compound
  • US9701670, Reference Compound
  • US9724347, Example Reference
  • US9993478, Example Reference
6 Ki 45 IC50 1 Kd 1 EC50
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Sodium channel protein type 9 subunit alpha
  • (2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl)amino]propanamide
  • CHEMBL396778
  • SAG
  • Safinamide
  • US9051240, (S)-(+)-2-[4-(3-Fluorobenzyloxy)-benzylamino]-propanamide
27 Ki 26 EC50
  • κ opioid receptor (KOR D138A)
  • κ opioid receptor (KOR D138N)
  • κ opioid receptor (KOR E297A)
  • κ opioid receptor (KOR H291A)
  • κ opioid receptor (KOR H291F)
  • κ opioid receptor (KOR I135A)
  • κ opioid receptor (KOR I294A)
  • κ opioid receptor (KOR I316A)
  • κ opioid receptor (KOR K200A)
  • κ opioid receptor (KOR K227A)
  • κ opioid receptor (KOR L212A)
  • κ opioid receptor (KOR M142A)
  • κ opioid receptor (KOR M226A)
  • κ opioid receptor (KOR Q115A)
  • κ opioid receptor (KOR Y119A)
  • κ opioid receptor (KOR Y119F)
  • κ opioid receptor (KOR Y139A)
  • κ opioid receptor (KOR Y139F)
  • κ opioid receptor (KOR Y312A)
  • κ opioid receptor (KOR Y312F)
  • κ opioid receptor (KOR Y313A)
  • κ opioid receptor (KOR Y313F)
  • κ opioid receptor (KOR Y320A)
  • κ opioid receptor (KOR Y320F)
  • κ opioid receptor (KOR Y66A)
  • Kappa-type opioid receptor
  • 1xx
9 Ki 40 IC50 3 Kd 0 Other
  • Acetylcholinesterase
  • Aldose reductase (AR)
  • Alpha-glucosidase MAL62
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Axin-1/Glycogen synthase kinase-3 beta
  • Butyrylcholinesterase (BChE)
  • Calmodulin
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Carbonyl reductase [NADPH] 1
  • Cytochrome P450 19A1
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 1B1
  • Dipeptidyl peptidase 4
  • Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
  • Estradiol 17-beta-dehydrogenase 2
  • Glyoxalase I
  • Human immunodeficiency virus type 1 integrase
  • Inositol hexakisphosphate kinase 2
  • Inositol polyphosphate multikinase
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Neuraminidase
  • P-glycoprotein (P-gp)
  • Pancreatic lipase
  • Proteasome subunit beta type-1/beta type-5
  • Protein-tyrosine phosphatase 1B
  • Testis-specific androgen-binding protein
  • Tyrosine-protein kinase receptor FLT3
  • Xanthine dehydrogenase/oxidase
  • alpha-Amylase
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • CHEMBL9352
  • Naringenin
52 Ki 1 EC50
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha carbonic anhydrase
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Axin-1/Glycogen synthase kinase-3 beta
  • 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
  • Carbonic anhydrase, alpha family
  • Gamma-carbonic anhydrase
  • CHEMBL19429
  • CHEMBL69710
  • CHLORIDE
  • Cl-
  • POTASSIUM CHLORIDE
  • SODIUM CHLORIDE
  • chloride
  • chloride ion
2 Ki 45 IC50 2 Kd 4 EC50
  • Poly [ADP-ribose] polymerase 1
  • Poly [ADP-ribose] polymerase 10
  • Poly [ADP-ribose] polymerase 12
  • Poly [ADP-ribose] polymerase 14
  • Poly [ADP-ribose] polymerase 2
  • Poly [ADP-ribose] polymerase 4
  • Poly [ADP-ribose] polymerase tankyrase-1
  • Poly [ADP-ribose] polymerase tankyrase-2
  • Protein mono-ADP-ribosyltransferase PARP3
  • 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
  • VELIPARIB
  • benzimidazole carboxamide, 3a
1 Ki 52 IC50
  • Coagulation factor III/Factor VIIa (fVIIa)
  • NAD-Dependent Deacetylase Sirtuin-1
  • NAD-dependent deacetylase HST2
  • NAD-dependent deacetylase sirtuin 1
  • NAD-dependent deacetylase sirtuin 2
  • NAD-dependent deacetylase sirtuin 3
  • NAD-dependent histone deacetylase SIR2
  • NAD-dependent protein deacetylase
  • NAD-dependent protein deacetylase sirtuin-3 (SIRT3)
  • NAD-dependent protein deacetylase sirtuin-5 (SIRT5)
  • Poly [ADP-ribose] polymerase 1
  • Putative silent information regulator 2
  • Sirtuin-6 (SIRT6)
  • poly-ADP-ribose polymerase 2 (PARP2)
  • 3-Pyridinecarboxamide
  • CHEMBL1140
  • NAM
  • niacinamide
  • nicotinamide
  • pyridine-3-carboxamide
0 ΔG°
  • gamma-cyclodextrin
44 Ki 7 IC50 2 EC50
  • D(2) dopamine receptor
  • DRD1
  • Delta-type opioid receptor
  • Glutamate receptor ionotropic, NMDA 1
  • HTR3A
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • OPRD1
  • Opioid receptor
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • Sigma-1 receptor
  • Vesicular acetylcholine transporter
  • Zinc finger protein 664
  • (+)-PENTAZOCINE
  • (-)-pentazocine
  • (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine)
  • CHEMBL560
  • PENTAZOCINE (+)
  • PENTAZOCINE (-)
  • Pentazocine
  • Pentazocine,(+/-)
  • Talacen
  • Talwin
  • US10231963, Table B.8
  • US10736890, Compound TABLE B.8
  • US9656961, Example 00125
  • rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
52 Ki 1 Kd
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • Sigma-1 receptor
  • Sigma-2 receptor
  • DITOLYLGUANIDINE
  • Di-o-tolylguanidine
5 Ki 48 IC50
  • Betaine transporter
  • GABA transporter
  • GABA transporter 1
  • GABA transporter 2
  • GABA transporter 3
  • SLC6A3
  • SLC6A4
  • Sodium- and chloride-dependent GABA transporter 1
  • (S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piperidine-3-carboxylic acid
  • (S)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-piperidine-3-carboxylic acid
  • CHEMBL75035
47 Ki 6 IC50
  • Neurokinin 1 receptor
  • Somatostatin receptor type 1
  • Somatostatin receptor type 2
  • Somatostatin receptor type 3
  • Somatostatin receptor type 4
  • Somatostatin receptor type 5
  • (3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-15-(4-hydroxy-benzyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16hexaaza-cyclooctadecane-2,5,8,11,14,17-hexaone
  • CHEMBL311695
  • seglitide
4 Ki 44 IC50 1 Kd 4 EC50
  • 10 kDa chaperonin
  • 60 kDa chaperonin
  • Aldo-keto reductase family 1 member C1
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • EYA3(ED)
  • Eyes absent homolog 3 (EYA3)
  • Eyes absent homolog 3 (EYA3) (ED)
  • HSP60/HSP10
  • Inosine-5'-monophosphate dehydrogenase
  • Monocarboxylate transporter 1 (MCT1)
  • Monocarboxylate transporter 2
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 4
  • PA/PB1
  • Protein-tyrosine phosphatase 1B
  • Protein-tyrosine phosphatase 1B (PTP1B)
  • Solute carrier family 22 member 12
  • Solute carrier family 22 member 6
  • Sphingosine 1-phosphate receptor 1
  • Thiosulfate sulfurtransferase
  • Zinc aminopeptidase
  • leucine aminopeptidase
  • nuclear receptor corepressor 2 isoform 2
  • perilipin-1
  • perilipin-5
  • photoreceptor-specific nuclear receptor
  • streptokinase A precursor
  • (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone
  • 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran
  • 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone
  • Benzbromarone
  • CHEMBL388590
  • US9725430, Compound 1
  • US9856239, benzbromarone
  • US9962362, Compound 1
  • Uroleap (TN)
  • cid_2333
31 Ki 21 IC50 1 Kd
  • 5-hydroxytryptamine receptor 2A
  • Aldehyde oxidase
  • 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
  • DRD1
  • DRD2
  • HTR4
  • Multidrug and toxin extrusion protein 1
  • Multidrug and toxin extrusion protein 2
  • Multidrug resistance-associated protein 4
  • Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha
  • Potassium voltage-gated channel subfamily H member 2
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Solute carrier family 22 member 2
  • 1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one
  • 5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol
  • 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone)
  • 5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
  • 6-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Domperidone)
  • CHEMBL219916
  • DOMPERIDONE
  • DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
  • US9132134, Domperidone
47 Ki 6 IC50
  • 5-HT5
  • 5-HT5B
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1B (5HT1B)
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • HTR1D
  • HTR1F
  • HTR2B
  • HTR6
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969)
  • CAS_108028
  • CHEMBL18785
  • NSC_108028
  • RU 24969
43 Ki 10 IC50
  • 5-hydroxytryptamine receptor 1A
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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
  • DRD1
  • DRD2
  • Dopamine D1 receptor
  • Dopamine receptor
  • Multidrug resistance-associated protein 4
  • Myeloperoxidase
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 2 (5-HT2) receptor
  • CAS_15676-16-1
  • SULPIRIDE,(+)
  • Sulpiride-S
  • Sulpiride-l
43 Ki 10 IC50
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine A2a receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione
  • 8-Phenyltheophylline
  • CAS_1922
  • CHEMBL62350
  • NSC_1922