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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
6 Ki 43 IC50 2 EC50
  • 3',5'-cyclic phosphodiesterase
  • Acetylcholinesterase
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • DNA recombination protein RecA
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Multidrug resistance-associated protein 4
  • Phosphodiesterase (TcrPDEC)
  • Phosphodiesterase 1
  • Phosphodiesterase 3 (PDE3)
  • Phosphodiesterase 3A
  • Phosphodiesterase 4A
  • Phosphodiesterase Type 10 (PDE10A)
  • Potassium voltage-gated channel subfamily H member 2
  • Reverse transcriptase
  • cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4C
  • cGMP-inhibited 3',5'-cyclic phosphodiesterase B
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • protein-arginine deiminase type-4
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
  • 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride
  • CHEMBL19224
  • Papaverine
9 Ki 42 IC50
  • Cereblon/Histone deacetylase 6
  • Cytochrome P450 3A
  • Histone Deacetylase 4 (HDAC4) Mutant (H976Y)
  • Histone deacetylase
  • 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
  • Potassium voltage-gated channel subfamily H member 2
  • (2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl}phenyl)prop-2-enamide
  • (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
  • CHEMBL356066
  • Dacinostat
  • LAQ-824
  • NVP-LAQ824
3 Ki 7 IC50 40 Kd 1 EC50
  • ATPase family AAA domain-containing protein 2
  • ATPase family AAA domain-containing protein 2B
  • 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 and extra-terminal motif (BET)
  • Bromodomain-containing protein 1
  • Bromodomain-containing protein 4
  • Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)
  • Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)
  • Bromodomain-containing protein 7
  • Bromodomain-containing protein 8
  • Bromodomain-containing protein 9
  • CREB-binding protein
  • Cat eye syndrome critical region protein 2
  • E3 ubiquitin-protein ligase TRIM33
  • HIF1A/p300/CREB-binding protein
  • Histone acetyltransferase KAT2A/KAT2B
  • Nucleosome-remodeling factor subunit BPTF
  • Peregrin
  • Probable global transcription activator SNF2L2
  • Protein polybromo-1
  • Transcription activator BRG1
  • Transcription initiation factor TFIID subunit 1
  • Transcription initiation factor TFIID subunit 1-like
  • Transcription intermediary factor 1-alpha
  • US10017501, Compound 1020-18
  • US9458145, 1020-18
50 Ki 1 IC50
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha carbonic anhydrase
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • 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
  • Gamma-carbonic anhydrase
  • Tyrosinase
  • CHEMBL1689285
  • HSO3-
  • bisulfite
  • hydrogen sulfite
46 IC50 5 EC50
  • ATP-binding cassette sub-family G member 2
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • 1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]phenyl}-4,5-dimethoxy-2-(3-quinolylcarboxamido)benzamide
  • CHEMBL348475
  • N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide
  • TARIQUIDAR
8 Ki 32 IC50 11 EC50
  • Cholecystokinin receptor
  • CHEMBL2017835
36 Ki 5 IC50 10 EC50
  • 1,3-beta-glucan synthase component GLS2
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Cannabinoid receptor 1
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2 and M5
  • Serotonin (5-HT) receptor
  • Sigma non-opioid intracellular receptor 1
  • Sodium channel protein type 5 subunit alpha
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • CHEMBL4277264
28 Ki 10 IC50 1 Kd 6 EC50
0 ΔG°
  • Cathepsin D
  • Cytochrome P450 3A
  • Cytochrome P450 3A5 (CYP3A5)
  • Gag polyprotein
  • HIV WT-A pol protein (wild-type clade A)
  • HIV WT-B pol protein (wild-type clade B)
  • HIV WT-C pol protein (wild-type clade C)
  • HIV-1 Protease
  • HIV-1 Protease AE
  • HIV-1 Protease AE Mutant (V82F)
  • HIV-1 Protease AE-P
  • HIV-1 Protease AE-P Mutant (F82V)
  • HIV-1 Protease B Subtype
  • HIV-1 Protease B Subtype Mutant (V82F)
  • HIV-1 Protease Mutant (I50V)
  • HIV-1 Protease Mutant (L10I,L19Q,K20R,E35D,M36I, ..)
  • HIV-1 Protease Mutant (L10I/L90M)
  • HIV-1 Protease Mutant (M46I,L63P,A71V,V82F,I84V)
  • HIV-1 Protease Mutant (M46I/I54V)
  • HIV-1 Protease Mutant (V82A/I84V)
  • HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A)
  • HIV-1 Protease Mutant M2 (D30N, L63P, N88D)
  • HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
  • HIV-1 Protease Mutant, MDR-HM
  • HIV-1 Protease Mutant, MDR-QM
  • HIV-1 isolate WT-control pol protein (CNDO control strain)
  • HIV-1 protease
  • Human immunodeficiency virus type 1 protease
  • MDR1
  • MDRC4
  • P-glycoprotein 1
  • (3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • 141W94
  • APV
  • Agenerase
  • Amprenavir
  • CHEMBL116
  • VX-478
51 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
  • 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_778
  • DL-homocysteine
  • NSC_778