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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
40 IC50
  • High affinity nerve growth factor receptor
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK3 (aa 781-1124)
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyk2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US10251889, Example 195
  • US10758542, Example 194
  • US8791123, 194
  • US9782415, Example 194
  • US9796724, Example 194
38 Ki 2 Kd
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • CHEMBL283695
  • Compound 8
  • Topiramate Sulfamide Analogue 8
  • amino-N-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}sulfonamide
2 Ki 38 IC50
  • Aromatase cytochrome P450
  • Bile salt export pump
  • Carbonic anhydrase 2
  • Cytochrome P450 11B1, mitochondrial
  • Cytochrome P450 11B2 (CYP11B2)
  • Cytochrome P450 19A1
  • 4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
  • 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile
  • CHEMBL1444
  • Letrozole
26 Ki 13 IC50 1 Kd
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine A2a receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase (TcrPDEC)
  • Phosphodiesterase 1
  • Phosphodiesterase 9A
  • Phosphodiesterase Type 3 (PDE3B)
  • Phosphodiesterase Type 5 (PDE5A)
  • Phosphodiesterase Type 5 (PDE5A) Mutant (del 661-681)
  • Phosphodiesterase Type 5 (PDE5A) Mutant (del 663-678)
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
  • 3-Isobutyl-1-methylxanthine
  • CHEMBL275084
  • IBMX
  • isobutylmethylxanthine
38 IC50 2 Kd
  • Acyl-protein thioesterase 1/2
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 8/9
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Dipeptidyl peptidase-IV (DDP-4)
  • Fibroblast activation protein alpha
  • Lysosomal phospholipase A1
  • 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile
  • 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
  • Alogliptin
  • SYR-322
40 IC50
  • Acetyl-CoA carboxylase 1
  • Acetyl-CoA carboxylase 2
  • US9278925, V.2-a
  • US9278925, V.4-a
30 Ki 4 IC50 6 Kd
  • Benzodiazepine receptors; peripheral & central
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Gamma-aminobutyric acid type B receptor subunit 1
  • Peripheral-Type Benzodiazepine Receptor
  • Peripheral-type benzodiazepine receptor
  • Translocator protein
  • 4 -chlorodiazepam
  • 4' Cl-diazepam
  • 7-chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • 7-chloro-5-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
  • CHEMBL286346
  • Ro 5-4864
  • Ro-05-4864
  • Ro-4864
  • Ro5-4864
40 IC50
  • α-glucosidase
  • α-Amylase group 4 allergen (Aca s 4)
  • Alpha glucosidase
  • Alpha-glucosidase
  • Alpha-glucosidase MAL12
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Multidrug resistance-associated protein 4
  • Pancreatic alpha-amylase
  • Probable maltase-glucoamylase 2
  • Sucrase-isomaltase
  • alpha-Amylase
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (α-glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • alpha-glucosidase (Gaa)
  • (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
  • Acarbose
8 Ki 32 IC50
  • Adrenergic Alpha
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Equilibrative Nucleoside Transporter 1 (ENT1)
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Heat shock protein HSP 90-alpha
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Multidrug and toxin extrusion protein 1
  • Multidrug and toxin extrusion protein 2
  • Multidrug resistance-associated protein 4
  • Multidrug resistance-associated protein 5
  • P-glycoprotein 1
  • Phosphodiesterase (TcrPDEC)
  • Phosphodiesterase 1
  • Phosphodiesterase 11A (PDE11A)
  • Phosphodiesterase 3
  • Phosphodiesterase 3A
  • Phosphodiesterase 4
  • Phosphodiesterase 4A
  • Phosphodiesterase 6
  • Phosphodiesterase 7
  • Phosphodiesterase 8
  • Protein prune homolog
  • Solute carrier family 22 member 2
  • cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • 2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
  • CHEMBL932
  • DIPYRIDAMOLE
  • Dipyridamine
  • Dipyridamole
  • Dipyudamine
  • MLS000028420
  • Persantine
  • SMR000058382
  • cid_3108
40 IC50
  • 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
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • 7-(1-(9H-purin-6- ylamino)ethyl)-6-(3- fluorophenyl)-3-methyl- 5H-thiazolo[3,2- a]pyrimidin-5-one
  • US10053465, 27
  • US10065963, Compound 27
  • US10428087, Example 30
  • US10519163, Example 27
  • US10675284, Example 27
  • US10829502, Example 30
  • US9975907, Example 30
40 IC50
  • Arachidonate 5-lipoxygenase
  • EBifunctional epoxide hydrolase 2
  • Epoxide Hydrolase B (EHB)
  • Epoxide hydrolase
  • Epoxide hydrolase 1
  • Epoxide hydrolase 2
  • Soluble Epoxide Hydrolase
  • Soluble epoxide hydrolase (sEH)
  • 12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid
  • CHEMBL215387
  • US10383835, Compound 700
  • Urea-based compound, 18
31 Ki 8 IC50 1 EC50
  • Alpha-glucosidase MAL12
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 15
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • D(1A) dopamine receptor
  • Epidermal growth factor receptor
  • Gamma-amino-N-butyrate transaminase
  • Procollagen-proline,2-oxoglutarate-4-dioxygenase
  • Succinate semialdehyde dehydrogenase
  • Thiopurine S-methyltransferase
  • Toll-like receptor 2
  • Tyrosinase
  • 4-Hydroxybenzoate, III
  • 4-hydroxybenzoic acid
  • CHEMBL441343
  • p-Hydroxybenzoic acid
  • phenol derivative, 8
40 Ki
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Gamma-carbonic anhydrase
  • CHEMBL1644697
  • CN(-1)
  • cyanide
  • iminomethanide
40 IC50
  • Cytoplasmic tyrosine-protein kinase BMX
  • EGF-R Tyrosine Kinase
  • EGF-R Tyrosine Kinase Mutant (T790M)
  • Epidermal growth factor receptor
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase 11
  • Src Mutant (S345C)
  • Src Mutant (S345C/T338M)
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK3
  • 4-anilinoquinazoline deriv. 2
  • BMC163482 Compound 1
  • CHEMBL285063
  • N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide
  • US9422297, PD168393
35 Ki 3 IC50 2 EC50
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • OPRD1
  • OPRK1
  • Opioid receptor
  • Opioid receptors; mu/kappa/delta
  • (6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
  • (6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
  • 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
  • 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine)
  • 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(Ethylketazocine, EKC)
  • CHEMBL279968
  • EKC
  • EKC(-)
3 Ki 37 IC50
  • CCKBR
  • Cholecystokinin A receptor
  • Cholecystokinin receptor
  • Potassium voltage-gated channel subfamily H member 2
  • (R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • (R)-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea
  • (RS)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • (S)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • 1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
  • 1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-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 ((R)L365_260)
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea (L-365,260)
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L-365,260)
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L-365260)
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L365,260)
  • 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-tolyl-urea
  • CHEMBL9387
  • L-365260
  • LY-365260
17 Ki 21 IC50 2 Kd
  • 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase
  • 5-hydroxytryptamine receptor 1A (5HT1A)
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • D(2) dopamine receptor
  • Dopamine D1 receptor
  • GluN1/GluN2B NMDA receptor
  • Glutamate [NMDA] receptor subunit epsilon 1/zeta 1
  • Glutamate [NMDA] receptor subunit epsilon 2/zeta 1
  • Glutamate [NMDA] receptor subunit epsilon 3/zeta 1
  • Glutamate receptor ionotropic, NMDA 1
  • Glutamate receptor ionotropic, NMDA 2B
  • Histamine H1 receptor
  • Imidazoline I1
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M3
  • NMDA receptor subunit 2C (GluN2C)
  • Serotonin 2a (5-HT2a) receptor
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • Sigma-1 receptor
  • (+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
  • (-)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
  • 4-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
  • 4-[(R)-2-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-propyl]-phenol
  • 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
  • CHEMBL49623
  • Ifenprodil
  • Ifenprodil,(+/-)
8 Ki 31 IC50 1 EC50
  • ATP synthase subunit gamma, mitochondrial
  • ATP-binding cassette sub-family G member 2
  • Alpha-chymotrypsin
  • Beta-lactamase AmpC
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • CDGSH iron-sulfur domain-containing protein 1
  • Canalicular multispecific organic anion transporter 2
  • Cholesteryl ester transfer protein
  • Cystic fibrosis transmembrane conductance regulator
  • Malate dehydrogenase cytoplasmic
  • Multidrug resistance-associated protein 4
  • NACHT, LRR and PYD domains-containing protein 3
  • NLRP3 protein
  • Oligopeptide transporter, kidney isoform
  • Peroxisome proliferator-activated receptor
  • Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1
  • Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2
  • Potassium voltage-gated channel subfamily H member 2
  • Solute carrier family 15 member 1
  • Solute carrier family 22 member 6
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • 1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea
  • 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea
  • 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide
  • 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide
  • CHEMBL472
  • GLYBURIDE
  • Glibenclamide
38 Ki 2 EC50
  • 5-HT2
  • 5-hydroxytryptamine receptor 1A
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD1
  • Dopamine D1 receptor
  • Dopamine receptor
  • 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine
  • 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine
  • 4-(4-Chloro-phenyl)-1-pyrazolo[1,5-a]pyridin-3-ylmethyl-piperazin-1-ium
  • CHEMBL7927
  • FAUC 113
40 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Activin receptor-like kinase 3 (ALK-3)
  • Angiopoietin-1 receptor
  • Axin-1/Glycogen synthase kinase-3 beta
  • CAMK2A
  • CDK2/Cyclin A/Cyclin A1
  • Casein kinase I isoform delta
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Ephrin type-A receptor 2
  • Epidermal growth factor receptor
  • Focal adhesion kinase 1
  • High affinity nerve growth factor receptor
  • Insulin-like growth factor I receptor
  • Interleukin-1 receptor-associated kinase 4
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase kinase kinase 1
  • Mitogen-activated protein kinase kinase kinase 9 (MLK1)
  • Potassium voltage-gated channel subfamily H member 2
  • Protein kinase C alpha type
  • Protein kinase C theta type
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Receptor tyrosine-protein kinase erbB-2
  • Rho-associated protein kinase 1
  • Ribosomal protein S6 kinase (P70S6K)
  • Serine/threonine-protein kinase Aurora-C
  • Serine/threonine-protein kinase Chk1/2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase ZAP-70
  • CHEMBL3593777
19 Ki 21 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Glutamate receptor ionotropic, NMDA 2B
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 5
  • Monoamine oxidase
  • 2-methyl-4-(pyridin-3-ylethynyl)thiazole
  • 3-(2-(2-methylthiazol-4-yl)ethynyl)pyridine
  • 3-(2-Methyl-thiazol-4-ylethynyl)-pyridine
  • 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
  • 3-[(2-methyl-4-thiazolyl)ethynyl]pyridine
  • CHEMBL292065
  • MTEP
8 Ki 31 IC50 1 EC50
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
  • Acetylcholinesterase
  • Bile Salt Export Pump, BSEP
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterase
  • Cystic fibrosis transmembrane conductance regulator
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • HMG-CoA reductase
  • Multidrug resistance-associated protein 2 (MRP2)
  • Multidrug resistance-associated protein 4
  • P-glycoprotein 1
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
  • (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one
  • MK-733
  • SIMVASTATIN LACTONE
  • Simvastatin
  • Zocor
  • cid_54454
37 Ki 1 IC50 2 EC50
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Potassium voltage-gated channel subfamily H member 2
  • (R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile
  • 4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile
  • ABT-239
  • CHEMBL351231
40 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • 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
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Serotonin (5-HT) receptor
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • (4-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone
  • CHEMBL555146
40 IC50
  • Somatostatin receptor type 1
  • Somatostatin receptor type 2
  • Somatostatin receptor type 3
  • Somatostatin receptor type 4
  • Somatostatin receptor type 5
  • (4R,7R,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanamido]propanamido]a
  • (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanamido]propanamido]a
  • 4-{5-[1-Aza-bicyclo[2.2.1]hept-(3Z)-ylidenemethyl]-isoxazol-3-yl}-phenylamine
  • CHEMBL442494
  • SRIF-28
40 IC50
  • Lymphocyte differentiation antigen CD38
  • NAD-Dependent Deacetylase Sirtuin-1
  • NAD-dependent deacetylase sirtuin 1
  • NAD-dependent deacetylase sirtuin 2
  • NAD-dependent protein deacetylase sirtuin-3 (SIRT3)
  • (+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
  • 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
  • CHEMBL420311
34 Ki 2 IC50 4 EC50
  • Cannabinoid receptor
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • (6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6Hdibenzo[b,d]pyran
  • (6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene
  • CHEMBL371214
  • JWH-133
1 Ki 26 IC50 8 Kd 5 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • G-protein- coupled-like receptor Smoothened (Smo)
  • Serum albumin
  • Smoothened homolog
  • Sonic hedgehog protein
  • 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
  • CHEMBL473417
  • VISMODEGIB
5 Ki 12 IC50 23 EC50
  • CHRM5
  • D(2) dopamine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • 1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 1-(1'-2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • CHEMBL522460
40 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Bile salt export pump
  • Calcium channel (Type L)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • DNA Gyrase
  • DNA Gyrase Subunit A
  • DNA gyrase subunit A
  • DNA gyrase subunit B
  • DNA gyrase subunit B (DNA gyraseB)
  • Multidrug resistance-associated protein 4
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium channel protein type 5 subunit alpha
  • Voltage-gated L-type calcium channel
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Avelox
  • MOXIFLOXACIN
6 IC50 34 Kd
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • B-RAF V600E
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 2
  • Ephrin type-A receptor 2
  • Ephrin type-A receptor 2 (EPHA2)
  • Epidermal growth factor receptor
  • Hepatocyte growth factor receptor
  • IGF-like family receptor 1
  • Insulin receptor
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 3
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • Serine/threonine-protein kinase PLK1
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Vascular endothelial growth factor receptor 2
  • CEP-32496
  • CHEMBL2029988
  • US9730937, Example 261
4 Ki 36 IC50
  • Angiopoietin-1 receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Fibroblast growth factor receptor 1
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Macrophage-stimulating protein receptor
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 3
  • Mitogen-activated protein kinase 9
  • Proto-oncogene tyrosine-protein kinase Src
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Ribosomal protein S6 kinase (P70S6K)
  • Ribosomal protein S6 kinase alpha 5
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-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
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
  • CHEMBL2031893
39 IC50 1 Kd
  • Leukocyte adhesion molecule-1
  • P-selectin
  • P-selectin/P-selectin glycoprotein ligand 1
  • Selectin
  • Selectin E
  • SIALYL LEWIS X
  • Sialyl LeX
  • Sialyl lewis-x
  • sLex
  • sialyl LewisX
4 Ki 34 IC50 2 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Adenosine receptor A1
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • High-affinity choline transporter
  • Monoamine transporter
  • Prostaglandin E synthase/G/H synthase 2
  • Serotonin (5-HT) receptor
  • Sodium channel alpha subunit
  • Sodium channel alpha subunits; brain (Types I, II, III)
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 7 subunit alpha
  • Sodium channel protein type 8 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • Sodium channel protein type IX alpha subunit
  • Sodium channel protein type VIII alpha subunit
  • Sodium channel protein type XI alpha subunit
  • Sodium-dependent dopamine transporter
  • Voltage-gated sodium channel
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
  • CHEMBL4217988
40 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 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
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Delta-type opioid receptor
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine receptor (H3 and H4)
  • Kappa-type opioid receptor
  • Monoamine transporter
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2 and M4
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M5
  • Serotonin (5-HT) receptor
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • CHEMBL4642292
40 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2E1
  • Cytochrome P450 3A5 (CYP3A5)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 8/9
  • Dipeptidyl peptidase 9
  • CHEMBL4646510
5 Ki 34 IC50 1 Kd
  • 1,3-beta-glucan synthase component GLS2
  • Antrax lethal toxin
  • Bile salt export pump
  • Calcium channel
  • Calcium channel (Type L)
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • Envelope glycoprotein
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type I I alpha subunit
  • Voltage-dependent L-type calcium channel subunit alpha-1C
  • Voltage-gated L-type calcium channel
  • Voltage-gated L-type calcium channel alpha-1C subunit
  • ubiquitin-conjugating enzyme E2 N
  • BEPRIDIL
  • BEPRIDIL HYDROCHLORIDE
  • Bepridil
  • MLS000028456
  • N-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)aniline;hydrochloride
  • N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline;hydrochloride
  • N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride
  • SMR000058419
  • benzyl-(3-isobutoxy-2-pyrrolidino-propyl)-phenyl-amine;hydrochloride
  • cid_50088
40 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
  • CAS_3086456
  • MK 678
  • NSC_3086456
31 Ki 8 IC50 1 EC50
  • Aldehyde oxidase
  • Cytochrome P450 2B6
  • D(2) dopamine receptor
  • DRD1
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mas-related G protein-coupled receptor X2 (MRGPRX2)
  • Mu-type opioid receptor
  • Norepinephrine transporter
  • OPRD1
  • Opioid receptor
  • Opioid receptors; mu & delta
  • P-glycoprotein 1
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium-dependent serotonin transporter
  • Voltage-gated L-type calcium channel
  • (+/-)-Methadone
  • CAS_5967-73-7
  • METHADONE
  • Methadone-HCL,(-)
  • NSC_22266
38 Ki 2 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1D
  • 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
  • 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
  • Kappa-type opioid receptor
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • OPRD1
  • SLC6A3
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Vasopressin V1b receptor
  • Vasopressin V2 receptor
  • Isoquercitrin
36 Ki 4 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Histamine H1 receptor
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Multidrug resistance-associated protein 4
  • Norepinephrine transporter
  • Sodium-dependent noradrenaline transporter
  • adrenergic Alpha2
  • CAS_3605-01-4
  • NSC_4850
  • Piribedil
12 Ki 8 IC50 1 Kd 19 EC50
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Multidrug resistance-associated protein 4
  • CAS_73573-87-2
  • Formoterol
  • NSC_3083544