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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
59 IC50 1 Kd
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • E3 ubiquitin-protein ligase XIAP/JAK1
  • E3 ubiquitin-protein ligase XIAP/JAK2
  • JAK1 (aa 850-1154)
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • JAK3/JAK1
  • Jak1 protein
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Non-receptor tyrosine-protein kinase TYK2
  • Potassium voltage-gated channel subfamily H member 2
  • TYK2 (aa 871-1187)
  • TYK2 (aa 888-1187)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 3
  • US10112907, Example 00033
  • US10206907, Compound 200
  • US10708263, Compound 1
  • US10766894, Compound TABLE 1.18
  • US8563545, 1
14 Ki 46 IC50
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)
  • Thymidylate synthase (TS)
  • Thymidylate synthase/GAR transformylase/AICAR transformylase
  • (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
  • CB3717
  • CHEMBL389051
  • PDDF
48 IC50 12 EC50
  • Low affinity sodium-glucose cotransporter
  • Sodium/glucose cotransporter 1
  • Sodium/glucose cotransporter 1 (SGLT1)
  • Sodium/glucose cotransporter 2
  • Sodium/myo-inositol cotransporter 2
  • (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
  • BMS-512148
  • C-aryl glucoside, 6
  • CHEMBL429910
  • Dapagliflozin
60 Ki
  • 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
  • Carbonic anhydrase 9
  • Carbonic anhydrase, alpha family
  • Gamma-carbonic anhydrase
  • CHEMBL1644699
  • CHEMBL38703
  • HS anion
  • HS(-1)
  • hydrogen(sulfide)(-1)
  • hydrosulfide
  • sulfanide
1 Ki 50 IC50 9 EC50
  • 12-Lipoxygenase (12-LOX)
  • 15-Lipoxygenase (LoxA)
  • 15-Lipoxygenase-2 (15-LOX-2)
  • Arachidonate 15-lipoxygenase
  • Arachidonate 5-lipoxygenase
  • Caspase-1
  • Cyclooxygenase
  • Estradiol 17-beta-dehydrogenase 1
  • Estradiol 17-beta-dehydrogenase 2
  • Estrogen receptor
  • Gag-Pol polyprotein
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • Heat shock protein HSP 90-alpha
  • Hsf1 protein
  • Leukotriene B4 receptor
  • Lipoxygenase
  • Lipoxygenase (LOX)
  • Lipoxygenase (SLO)
  • Lipoxygenase-1
  • POsterior Segregation family member (pos-1)
  • RNA polymerase beta subunit (EC 2.7.7.6)
  • RecName: Full=Zinc finger protein mex-5
  • Seed linoleate 9S-lipoxygenase
  • Transient receptor potential cation channel subfamily A member 1
  • Transthyretin
  • Tyrosinase
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • large T antigen
  • tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide
  • 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol
  • 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
  • 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol
  • BDBM166684
  • CHEMBL52
  • LOX inhibitor, N/A
  • MLS000069451
  • NORDIHYDROGUAIARETIC ACID
  • Nordihydroguaiaretic acid (NDGA)
  • SMR000059049
  • US10857082, Compound 2.18
  • cid_4534
59 Ki 1 IC50
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase XIII
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • Delta carbonic anhydrase
  • plectin 1
  • 4-(4-aminophenylsulfonamido)-1-benzenesulfonamide
  • 4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide
  • 4-amino-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide
  • 4-amino-bis-benzenesulfonamide
  • CHEMBL269122
  • cid_68351
2 Ki 1 IC50 57 EC50
  • β-1,4-Galactosyltransferase I (β4GalT)
  • N-acetyllactosaminide alpha-1,3-galactosyltransferase
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y2
  • Pyrimidinergic receptor P2Y4
  • Pyrimidinergic receptor P2Y6
  • 5'-UTP
  • CHEMBL336296
  • H4utp
  • UTP
  • uridine 5'-(tetrahydrogen triphosphate)
  • uridine 5'-triphosphoric acid
49 Ki 6 IC50 5 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,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
  • 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
  • CHEMBL139000
  • N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA)
  • R-N6-(phenylisopropyl)adenosine
59 IC50 1 EC50
  • ALK tyrosine kinase receptor
  • Activin receptor type-1
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • BDNF/NT-3 growth factors receptor
  • CAMK2A
  • CaM kinase I delta
  • Casein kinase I isoform alpha
  • Cyclin-dependent kinase 7
  • Cyclin-dependent kinase 8
  • Cyclin-dependent kinase 9
  • Death-associated protein kinase 3
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • Dual specificity mitogen-activated protein kinase kinase; MEK1/2
  • Dual specificity protein kinase CLK2
  • Dual specificity tyrosine-phosphorylation-regulated kinase 1B
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Fibroblast growth factor receptor 1
  • Focal adhesion kinase 1
  • G protein-coupled receptor kinase 5
  • Glycogen synthase kinase-3
  • Hepatocyte growth factor receptor
  • Hepatocyte growth factor-like protein
  • High affinity nerve growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit epsilon
  • Insulin-like growth factor I receptor
  • Leukocyte tyrosine kinase receptor
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase 9
  • Mitogen-activated protein kinase kinase kinase kinase 2
  • Mitogen-activated protein kinase kinase kinase kinase 4
  • NT-3 growth factor receptor
  • Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Protein kinase C theta type
  • Protein kinase C, PKC; classical/novel
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Rho-associated protein kinase 1
  • Ribosomal protein S6 kinase alpha-1/alpha-3
  • Serine/threonine-protein kinase NEK2
  • Serine/threonine-protein kinase PAK 4
  • Serine/threonine-protein kinase TAO2
  • Serine/threonine-protein kinase TBK1
  • Serine/threonine-protein kinase WEE1
  • Serine/threonine-protein kinase pim-1
  • Tyrosine kinase non-receptor protein 2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase receptor TYRO3
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • CHEMBL4066664
47 IC50 13 EC50
  • ATP-binding cassette sub-family G member 2
  • CYP3A-M
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 2 (MRP2)
  • P-glycoprotein 1
  • 3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester
  • 3-((3S,6S,12aS)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester
  • CHEMBL488910
  • Ko-143
  • Ko143
  • US9695174, Ko143
60 IC50
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDC7 and DBF4
  • CDK2/CycE
  • CDK2/Cyclin A/Cyclin A1
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Dual specificity protein kinase TTK
  • Ephrin type-A receptor 2
  • Eukaryotic elongation factor 2 kinase
  • Fibroblast growth factor receptor 1
  • Focal adhesion kinase 1
  • Hepatocyte growth factor receptor
  • High affinity immunoglobulin gamma Fc receptor I
  • High affinity nerve growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Insulin receptor
  • MAP kinase-activated protein kinase 2
  • MAP kinase-interacting serine/threonine-protein kinase 2
  • Mast/stem cell growth factor receptor Kit
  • Maternal embryonic leucine zipper kinase (MELK)
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 14
  • Mitotic checkpoint serine/threonine-protein kinase BUB1
  • Non-receptor tyrosine-protein kinase TYK2
  • PKC alpha and beta-2
  • Pancreatic endoplasmic reticulum kinase (PERK)
  • Proto-oncogene tyrosine-protein kinase ROS
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase MST4
  • Serine/threonine-protein kinase NEK6
  • Serine/threonine-protein kinase NIM1
  • Serine/threonine-protein kinase PAK 4
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK2
  • Serine/threonine-protein kinase PLK3
  • Serine/threonine-protein kinase haspin
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase tousled-like 2
  • Tyrosine kinase non-receptor protein 2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • cAMP-dependent protein kinase (PKA)
  • 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE
  • 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
  • CHEMBL1738758
60 Ki
  • SSTR2
  • SSTR3
  • SSTR5
  • Somatostatin receptor type 1
  • Somatostatin receptor type 2
  • Somatostatin receptor type 3
  • Somatostatin receptor type 4
  • Somatostatin receptor type 5
  • L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-Ala-L-Pro-L-Arg-L-Glu-L-Arg-L-Lys-L-Ala-Gly-L-Cys(1)-L-Lys-L-Asn-L-Phe-L-Phe-L-Trp-L-Lys-L-Thr-L-Phe-L-Thr-L-Ser-L-Cys(1)-OH
  • somatostatin-28