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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
8 Ki 68 IC50 2 Kd 3 EC50
  • Acetylcholinesterase
  • Arrestin, beta 1
  • Bile salt export pump
  • Butyrylcholinesterase (BuChE)
  • Caspase-1
  • Cereblon/Histone deacetylase 6
  • Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group
  • Cyclooxygenase
  • EBifunctional epoxide hydrolase 2
  • Gag-Pol polyprotein
  • Gamma-butyrobetaine dioxygenase
  • Hexokinase type I
  • Histone deacetylase 5
  • Histone deacetylase 9
  • Histone-lysine N-methyltransferase EHMT1
  • Indoleamine 2,3-dioxygenase
  • MPI protein
  • Macrophage migration inhibitory factor (MIF)
  • Microtubule-associated protein 2
  • MurA (H. influenzae)
  • NS3
  • Neutrophil cytosol factor 1
  • Protein G9a (G9a)
  • RNA polymerase beta subunit (EC 2.7.7.6)
  • Replicase polyprotein 1ab
  • Sulfhydryl oxidase 1
  • TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
  • TPA: Essential protein of the mitochondrial intermembrane space
  • Thioredoxin reductase (TrxR)
  • Toxin B
  • UDP-glucose 4-epimerase
  • Urease subunit beta
  • dTDP-4-dehydrorhamnose 3,5-epimerase RmlC
  • diphosphomevalonate decarboxylase
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • hexokinase
  • insulin-degrading enzyme isoform 1 precursor
  • large T antigen
  • mevalonate kinase
  • neutrophil cytosolic factor 1
  • perilipin-1
  • perilipin-5
  • phosphatase, orphan 1
  • phosphomannomutase 2
  • putative hexokinase HKDC1
  • 2-Phenyl-benzo[d]isoselenazol-3-one
  • 2-Phenyl-benzo[d]isoselenazol-3-one(Ebselen)
  • 2-phenyl-1,2-benzisoselazol-3(2H)-one
  • 2-phenyl-1,2-benzoselenazol-3-one
  • 2-phenylbenzo[d][1,2]selenazol-3(2H)-one
  • CHEMBL51085
  • EBSELEN
  • Ebselen (C5)
  • MLS000028488
  • SMR000058445
  • cid_3194
  • med.21724, Compound 153
78 Ki 3 IC50
  • Acetylcholine Binding protein
  • Choline transporter
  • Cholinergic, Nicotinic Alpha1Beta1DeltaGamma
  • Cholinergic, Nicotinic Alpha3Beta2
  • Cholinergic, Nicotinic Alpha6
  • Cholinergic, Nicotinic Alpha6Beta2
  • Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5
  • Cholinergic, Nicotinic Alpha6Beta4
  • Cholinergic, Nicotinic Muscle
  • Cytochrome P450 2A6
  • Cytochrome P450 3A
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor Alpha-2/Beta-2
  • Neuronal acetylcholine receptor Alpha-2/Beta-4
  • Neuronal acetylcholine receptor Alpha-3/Beta-2
  • Neuronal acetylcholine receptor Alpha-3/Beta-4
  • Neuronal acetylcholine receptor Alpha-4/Beta-2
  • Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
  • Neuronal acetylcholine receptor protein alpha-7 subunit
  • Neuronal acetylcholine receptor subunit alpha-2
  • Neuronal acetylcholine receptor subunit alpha-3
  • Neuronal acetylcholine receptor subunit alpha-4
  • Neuronal acetylcholine receptor; alpha2/beta2
  • Nicotinic Alpha-Bungarotoxin
  • Potassium voltage-gated channel subfamily H member 2
  • n-AChR
  • nAChR alpha4 beta2 subtype
  • (+-)-nicotine
  • (R,S)-nicotine
  • (RS)-nicotine
  • 3-(1-methylpyrrolidin-2-yl)pyridine
  • CHEMBL440464
  • Nicotin
  • Nicotine-(+)
  • Nikotin
  • US8609708, 54 Nicotine
  • US9284322, Nicotine
  • US9993465, Nicotine
  • nicotine
8 Ki 73 IC50
  • ADC-11
  • ADC-14 protein
  • ADC-16 protein
  • ADC-18 protein
  • Bacterial beta-lactamase TEM
  • Beta-lactamase
  • Beta-lactamase (SHV-1)
  • Beta-lactamase (TEM-1)
  • Beta-lactamase ACC-4
  • Beta-lactamase ADC-33
  • Beta-lactamase AmpC
  • Beta-lactamase BRO-1
  • Beta-lactamase GES-13
  • Beta-lactamase OXA-1
  • Beta-lactamase SCO-1
  • Beta-lactamase SHV-5
  • Beta-lactamase SHV-55
  • Beta-lactamase TEM-125
  • Beta-lactamase class C
  • Beta-lactamase pse-1
  • Beta-lactamase type II
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Carbapenem-hydrolizing beta-lactamase SFC-1
  • Carbepenem-hydrolyzing beta-lactamase KPC
  • Class A beta-lactamase BlaC (BlaC)
  • Class A carbapenemase KPC-2
  • Class D β-lactamase (OXA-1)
  • Class D beta-lactamase
  • Extended-spectrum beta-lactamase CTX-M-53
  • Gil1
  • Leukocyte elastase
  • SHV-1 beta-lactamase
  • CHEMBL777
  • MM 14151
  • US9120808, Clavulanic acid potassium salt
  • antibiotic MM 14151
  • clavulanic acid
6 Ki 27 IC50 3 Kd 45 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Angiotensin II receptor (AT-1) type-1
  • Bile acid transporter
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • CDGSH iron-sulfur domain-containing protein 1
  • CDGSH iron-sulfur domain-containing protein 2
  • Canalicular multispecific organic anion transporter 2
  • Free fatty acid receptor 1
  • Multidrug resistance-associated protein 4
  • Nuclear receptor coactivator 2 (aa 740-753)
  • Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha
  • PPAR alpha/gamma
  • 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
  • Avandamet
  • Avandaryl
  • Avandia
  • BRL-49653
  • CHEBI:50122
  • ROSIGLITAZONE
  • Rosiglitazone
  • US10744117, Compound Rosiglitazone
  • US9562012, rosiglitazone
65 Ki 3 IC50 13 EC50
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine A2a receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2a and A3
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • (2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
  • 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)
  • 2-Cl-CPA
  • 2-chloro-N6-cyclopentyladenosine
  • 5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol
  • CCPA
  • CHEMBL284969
  • N6-Cyclopentyl-2-chloroAdo
69 Ki 12 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Beta-2 adrenergic receptor
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • HTR2C
  • Histamine H1 receptor
  • Monoamine transporters; Norepininephrine & dopamine
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • 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
  • Transporter
  • adrenergic Alpha2
  • CHEMBL284994
  • CP-52003
  • SERTRALINE
  • [4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine