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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
57 Ki 1 IC50
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonate dehydratase
  • Carbonic Anhydrase (hpCA)
  • 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 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 9
  • Carbonic anhydrase, alpha family
  • 6-hydroxy-1,3-benzothiazole-2-sulfonamide
  • CHEMBL6685
  • aromatic/heteroaromatic sulfonamide 19
7 Ki 51 IC50
  • Aurora B/Incenp
  • Aurora kinase A/Targeting protein for Xklp2
  • Cyclooxygenase-1 (COX-1)
  • Dual specificity protein kinase TTK
  • Heart phosphodiesterase
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase (TcrPDEC)
  • Phosphodiesterase 1
  • Phosphodiesterase 3
  • Phosphodiesterase 3 (PDE3)
  • Phosphodiesterase 3A
  • Phosphodiesterase 4
  • Phosphodiesterase 4A
  • Phosphodiesterase 5A
  • Phosphodiesterase Type 3 (PDE3A)
  • Phosphodiesterase Type 3 (PDE3B)
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • 6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile
  • 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
  • CHEMBL189
  • Milrinone
  • Primacor
  • US9242982, Milrinone
  • US9249139, Milrinone
3 Ki 54 IC50 1 EC50
  • Acidic alpha-glucosidase
  • Alpha glucosidase
  • Alpha-glucosidase
  • Alpha-mannosidase 2C1
  • Beta-galactosidase
  • Beta-glucosidase
  • Beta-mannosidase
  • Ceramide glucosyltransferase
  • Glucocerebrosidase GBA1/GBA2
  • Glycogen debranching enzyme
  • Lactase-glycosylceramidase
  • Lactase-phlorizin hydrolase
  • Lysosomal acid glucosylceramidase
  • Lysosomal alpha-glucosidase
  • Maltase-glucoamylase
  • Mannosidase 2 alpha 1
  • Mannosidase 2, alpha B1
  • Non-lysosomal glucosylceramidase
  • Sucrase-isomaltase
  • Trehalase
  • Uncharacterized protein
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • alpha-glucosidase (Gaa)
  • (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
  • CHEMBL1029
  • MIGLUSTAT
  • N-Butyl-DNJ
  • US9181184, 5
4 Ki 41 IC50 12 Kd 1 EC50
  • 14-alpha sterol demethylase
  • 14-alpha sterol demethylase Cyp51A
  • Alpha-chymotrypsin
  • Bcl-2-like protein 11
  • Beta-lactamase AmpC
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 11B1
  • Cytochrome P450 11B2
  • Cytochrome P450 121
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 142 (CYP142)
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
  • Cytochrome P450 51
  • Heme Oxygenase 1 (HO-1)
  • Heme Oxygenase 2 (HO-2)
  • Histone deacetylase
  • Lanosterol 14-alpha demethylase
  • Malate dehydrogenase cytoplasmic
  • Multidrug resistance-associated protein 4
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Sterol 14α-demethylase (CYP51)
  • Sterol 14-alpha demethylase (CYP51)
  • 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
  • CHEMBL106
  • Diflucan
  • Fluconazole
  • Fluconazole (f)
  • Fungata
  • Triflucan
  • US10221160, Fluconazole
  • US9138393, Fluconazole
  • US9144538, Fluconazole
  • US9221791, Fluconazole
  • US9556143, Fluconazole
  • cid_3365
52 Ki 1 IC50 1 Kd 4 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • HTR1D
  • Monoamine oxidase
  • Serotonin (5-HT) receptor
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • (+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • (+)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • (+/-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • (-)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • (-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
  • 2-(2-Methoxy-phenyl)-1-methyl-ethylamine
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((-)-DOB)
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((R)-(-)-DOB)
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((S)-(+)-DOB)
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine(DOB)
  • 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine[R(-)DOB]
  • 2-(5-Bromo-2,4-dimethoxy-phenyl)-1-methyl-ethylamine
  • Brolamfetamine
  • CHEMBL6607
  • DOB
  • Racemic DOB
53 IC50 5 Kd
  • 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 testis-specific protein
  • Bromodomain-containing protein 1
  • Bromodomain-containing protein 2
  • Bromodomain-containing protein 3
  • Bromodomain-containing protein 4
  • Bromodomain-containing protein 7
  • Bromodomain-containing protein 9
  • CREB-binding protein
  • Cat eye syndrome critical region protein 2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • E3 ubiquitin-protein ligase TRIM33
  • Histone acetyltransferase KAT2A
  • Histone acetyltransferase PCAF
  • Histone acetyltransferase p300
  • Nucleosome-remodeling factor subunit BPTF
  • Peregrin
  • Probable global transcription activator SNF2L2
  • Protein polybromo-1
  • Transcription initiation factor TFIID subunit 1
  • Transcription initiation factor TFIID subunit 1-like
  • Transcription intermediary factor 1-alpha
  • CHEMBL2177300
26 Ki 2 IC50 30 EC50
  • GRIA3
  • GRM7
  • GRM8
  • Group II metabotropic glutamate receptor (mGlu2/mGlu3)
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 3
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 4 (mGluR4)
  • Metabotropic glutamate receptor 5
  • Metabotropic glutamate receptor 6
  • (1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (2S,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (LY 354740)
  • 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid(LY354740)
  • CHEMBL8759
  • LY-354740
  • LY366563
12 Ki 18 IC50 28 EC50
  • Melanocortin receptor 2
  • Melanocortin receptor 3
  • Melanocortin receptor 4
  • Melanocortin receptor 5
  • Melanocortin receptor 5 (MC5R)
  • Melanocyte-stimulating hormone receptor
  • (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
  • (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(3H-[1,2,4]triazol-1-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide
  • (R)-N-((R)-1-(4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  • 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
  • 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
  • CHEMBL339053
  • THIQ
58 IC50
  • 1,3-beta-glucan synthase component GLS2
  • 3-phosphoinositide dependent protein kinase-1
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-dependent kinase 2
  • Ephrin receptor
  • Ephrin type-B receptor 4
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 4
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • MAP kinase-activated protein kinase 2
  • MAP kinase-activated protein kinase 5
  • MAP kinase-interacting serine/threonine-protein kinase 2
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase kinase kinase 8
  • Non-receptor tyrosine-protein kinase TYK2
  • 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
  • Phosphatidylinositol 4-kinase beta
  • Platelet-derived growth factor receptor alpha
  • Protein kinase C alpha type
  • Protein kinase C theta type
  • Protein kinase N1
  • Protein kinase N2
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Rho-associated protein kinase 2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
  • CHEMBL3787112
49 Ki 9 IC50
  • CHRM4
  • Cholinergic, muscarinic
  • Muscarinic acetylcholine receptor DM1
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • 4-DAMP
  • 4-Diphenylacetoxy-1,1-dimethyl-piperidinium; iodide
  • Acetic acid 4-[(4-acetoxy-phenyl)-pyridin-2-yl-methyl]-phenyl ester
  • CHEMBL168067
  • CHEMBL76897
44 IC50 8 Kd 6 EC50
  • ALK tyrosine kinase receptor
  • Dipeptidyl peptidase I
  • EGFR (del 746-750)
  • EML4-ALK
  • Epidermal growth factor receptor
  • Epidermal growth factor receptor(L858R)
  • Epidermal growth factor receptor(L858R, T790M)
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase JAK3
  • CHEMBL1229592
  • US10167264, WZ4002
  • US9670213, WZ4002
58 Ki
  • ADRA1A
  • ADRA1B
  • ADRA2C
  • Adrenergic receptor alpha-2
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Cerebral cortex alpha adrenergic receptor
  • D(2) dopamine receptor
  • HTR1A
  • Histamine H1 receptor
  • Serotonin (5-HT) receptor
  • adrenergic Alpha1
  • adrenergic Alpha2
  • CAS_185453
  • NSC_185453
  • WB 4101
  • WB-4101
58 Ki
  • SSTR2
  • SSTR3
  • SSTR4
  • SSTR5
  • Somatostatin receptor type 1
  • Somatostatin receptor type 2
  • Somatostatin receptor type 3
  • Somatostatin receptor type 4
  • Somatostatin receptor type 5
  • Cyclo[L-Trp-D-Trp-L-Lys-L-Thr-L-Phe-(7-amino*heptanoyl-L-Phe-)]
  • L-362,855
  • L-362855
58 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-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
  • Glycosylasparaginase (GA)
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 receptor
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 6 (mGlu6)
  • Metabotropic glutamate receptor 8 (mGlu8)
  • 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
  • L-Cysteic acid, 8
  • L-cysteic acid
58 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
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 6 (mGlu6)
  • Metabotropic glutamate receptor 8 (mGlu8)
  • 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_109
  • L-cysteine sulfinic acid
  • NSC_109