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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
1 Ki 15 IC50
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 19A1
  • Multidrug resistance-associated protein 4
  • Uridine-5'-diphosphoglucuronosyltransferase 1A4
  • 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
  • 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile
  • ANASTROZOLE
  • CHEMBL1399
  • NSC719344
  • arimidex
16 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • DNA-dependent protein kinase
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • Serine-protein kinase ATM
  • Serine/threonine-protein kinase ATR
  • mTOR/FKBP12A/FKBP12B
  • US8552004, 2.03
12 Ki 4 IC50
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US8569311, E-5
15 IC50 1 EC50
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • 11-beta-hydroxysteroid dehydrogenase 2
  • 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Estradiol 17-beta-dehydrogenase 1
  • Melanin-concentrating hormone receptor 2/HERG
  • Nuclear receptor subfamily 1 group I member 2
  • US8575157, 48
1 IC50
0 ΔG°
  • Heat Shock Protein 90 (Hsp90)
  • cAMP-activated global transcriptional regulator CRP
  • cyclic AMP receptor protein
  • (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
  • (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
  • ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE
  • Cyclic adenosine monophosphate
  • cAMP
  • cid_23902375
15 IC50 1 Kd
  • Glutamate dehydrogenase 2, mitochondrial
  • Glutaminase kidney isoform, mitochondrial
  • US10793535, Cmpd ID 727
  • US8604016, 670
  • US9938267, Cmpd ID 670
16 Ki
  • Orexin receptor type 1
  • Orexin receptor type 2
  • US8653263, 288
  • US9586962, Example 288
16 IC50
  • High affinity nerve growth factor receptor
  • JAK2 (aa 808-1132)
  • Tyrosine-protein kinase JAK2
  • US10251889, Example 100
  • US10758542, Example 100
  • US8791123, 99
  • US9782415, Example 99
  • US9796724, Example 100
16 IC50
  • Cyclin-dependent kinase 2
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor
  • Focal adhesion kinase 1
  • MAP kinase p38
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor tyrosine-protein kinase erbB-2
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Vascular endothelial growth factor receptor 2
  • 5-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3-thiazole-2,5-diamido
  • BMS-354825 2-Carboxamido-4-hydrido-thiazole Analog 7n
  • CHEMBL131577
  • N-(2-chloro-6-methylphenyl)-2-[(cyclopropylcarbonyl)amino]-1,3-thiazole-5-carboxamide
16 IC50
  • BDNF/NT-3 growth factors receptor
  • Cereblon/BCR/ABL
  • High affinity nerve growth factor receptor
  • NT-3 growth factor receptor
  • Tyrosine kinase receptor A (TrkA)
  • US10005783, 14
  • US10047097, 14
  • US10774085, Example 14
  • US8865698, 14
  • US9676783, 14
16 Ki
  • Coagulation factor X
  • Prothrombin
  • Trypsin
  • Trypsin-1
  • Urokinase-type plasminogen activator
  • 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
  • APC-1144
  • {amino[2-(2-hydroxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
16 IC50
  • Rho-associated protein kinase 2
  • US10570123, Example 201
  • US8916576, 201
8 Ki 8 IC50
  • D-Aspartate Oxidase (DDO)
  • D-amino-acid oxidase
  • D-aspartate oxidase
  • Proto-oncogene tyrosine-protein kinase Src (aa 145-252)
  • Serine racemase
  • Fragment 3
  • Malonic Acid
  • propanedioic acid
2 Ki 14 IC50
  • Beta-secretase 1
  • Potassium voltage-gated channel subfamily H member 2
  • US8975415, RP51a
  • US8975415, RP51b
  • US8975415, RP69
  • US9242973, RP69
4 Ki 12 IC50
  • Beta-secretase 1
  • Potassium voltage-gated channel subfamily H member 2
  • US8975415, RP108
  • US8975415, RP53b
  • US9242973, RP108
4 Ki 9 IC50 3 Kd
  • 3C-like proteinase (3CL-PRO)
  • Dihydroorotase (PyrC)
  • MERS-CoV papain-like protease (MERS-PLpro)
  • NS3 serine protease (NS3)
  • SARS Coronavirus Coronavirus Papain-Like Protease
  • Tyrosine-protein kinase ABL1
  • 8-(trifluoromethyl)-9H-purin-6-amine (4)
  • jm5b01461, Compound 188
16 IC50
  • ATP-sensitive inward rectifier potassium channel 1
  • ATP-sensitive inward rectifier potassium channel 10
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Inward rectifier potassium channel 13
  • Inward rectifier potassium channel 2
  • Inward rectifier potassium channel 4
  • Potassium voltage-gated channel subfamily H member 2
  • Renal Outer Medullary Potassium (ROMK)
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 7 subunit alpha
  • US9018211, 52
16 IC50
  • Activin receptor type-1
  • Activin receptor type-1B
  • Activin receptor type-1B/Activin receptor-like kinase 4 (ALK-4)
  • Activin receptor-like kinase 3 (ALK-3)
  • Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495
  • Serine/threonine-protein kinase receptor R3
  • Serine/threonine-protein kinase receptor R3 (ALK1)
  • TGF-beta receptor type-1
  • US10017516, Compound 53
  • US9682983, 52
  • US9682983, 53
16 Ki
  • Orexin receptor type 1
  • Orexin receptor type 2
  • US9062078, 167
  • US9062078, 19
  • US9475819, 19
  • US9637496, 19
  • US9695183, 19
16 Ki
  • Orexin receptor type 1
  • Orexin receptor type 2
  • US9062078, 166
  • US9062078, 37
  • US9475819, 37
  • US9637496, 37
  • US9695183, 37
16 Ki
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 107
  • US9062078, 173
  • US9475819, 107
  • US9637496, 107
  • US9695183, 173
16 IC50
  • Tyrosine-protein kinase BTK
  • US10604504, Example 172
  • US9688629, 169
  • US9688629, 170
  • US9688629, 171
  • US9688629, 172
  • US9802915, Example 172
  • US9920031, Example 172
1 Ki 15 IC50
  • 3-phosphoinositide dependent protein kinase-1
  • Axin-1/Glycogen synthase kinase-3 beta
  • Checkpoint Kinase (Chk2)
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 5 regulatory subunit 1
  • Mitogen-activated protein kinase 1
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase CHK2
  • Serine/threonine-protein kinase Chk1/2
  • cAMP-dependent protein kinase (PKA)
  • (4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
  • 2-amino-5-[(4Z)-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene]-4,5-dihydro-1H-imidazol-4-one
  • B722657K110
  • CHEMBL255465
  • Debromohymenialdisine (DBH)
  • Hymenialdisine, 8
  • NSC607174
2 Ki 14 IC50
  • MAP kinase-interacting serine/threonine-protein kinase 1
  • MAP kinase-interacting serine/threonine-protein kinase 1/2
  • MAP kinase-interacting serine/threonine-protein kinase 2
  • US9669031, 109 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1′-cyclohexane]-1,5-dione hydrochloride (Cpd. No. 109)
7 IC50 9 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Pteridine reductase 1
  • Small conductance calcium-activated potassium channel protein 1 (KCa2.1)
  • Small conductance calcium-activated potassium channel protein 2 (KCa2.2)
  • Small conductance calcium-activated potassium channel protein 3 (KCa2.3)
  • Sodium channel alpha subunit
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 5 subunit alpha
  • Voltage-gated potassium channel subunit Kv2.1 (Kv2.1)
  • Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
  • US9675591, SKA-19
16 Ki
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Nociceptin receptor
  • Opioid growth factor receptor-like protein 1
  • US9090618, ZA46
  • US9090618, ZA54
  • US9598411, Ref. No. ZA54
16 Ki
  • Coagulation factor X
  • Prothrombin
  • Trypsin
  • (Z,Z)BABCH
  • 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocycloheptylidene]methyl}benzene-1-carboximidamide
  • CHEMBL55035
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 2
  • US9096596, 2
  • US9604982, Example 2
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 10
  • US9096596, 10
  • US9604982, Example 10
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 11
  • US9096596, 11
  • US9604982, Example 11
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 14
  • US9096596, 14
  • US9604982, Example 14
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 15
  • US9096596, 15
  • US9604982, Example 15
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 18
  • US9096596, 18
  • US9604982, Example 18
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 20
  • US9096596, 20
  • US9604982, Example 20
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 34
  • US9096596, 34
  • US9604982, Example 34
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 35
  • US9096596, 35
  • US9604982, Example 35
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 37
  • US9096596, 37
  • US9604982, Example 37
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 38
  • US9096596, 38
  • US9604982, Example 38
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 39
  • US9096596, 39
  • US9604982, Example 39
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 43
  • US9096596, 43
  • US9604982, Example 43
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 84
  • US9096596, 84
  • US9604982, Example 84
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 89
  • US9096596, 89
  • US9604982, Example 89
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 124
  • US9096596, 124
  • US9604982, Example 124
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 128
  • US9096596, 128
  • US9604982, Example 128
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 3
  • US9102686, 3
  • US9540388, 3
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 8
  • US9102686, 8
  • US9540388, 8
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 12
  • US9102686, 12
  • US9540388, 12
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 23
  • US9102686, 23
  • US9540388, 23
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 26
  • US9102686, 26
  • US9540388, 26
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 40
  • US9102686, 40
  • US9540388, 40
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 41
  • US9102686, 41
  • US9540388, 41
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 42
  • US9102686, 42
  • US9540388, 42
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 43
  • US9102686, 43
  • US9540388, 43
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 44
  • US9102686, 44
  • US9540388, 44
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 45
  • US9102686, 45
  • US9540388, 45
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 46
  • US9102686, 46
  • US9540388, 46
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 47
  • US9102686, 47
  • US9540388, 47
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 48
  • US9102686, 48
  • US9540388, 48
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 49
  • US9102686, 49
  • US9540388, 49
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 50
  • US9102686, 50
  • US9540388, 50
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 51
  • US9102686, 51
  • US9540388, 51
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 52
  • US9102686, 52
  • US9540388, 52
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 53
  • US9102686, 53
  • US9540388, 53
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 54
  • US9102686, 54
  • US9540388, 54
8 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10053462, 55
  • US9102686, 55
  • US9540388, 55
2 IC50 14 EC50
  • HIV-1 Reverse Transcriptase
  • Human immunodeficiency virus type 1 reverse transcriptase
  • 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-1H-1,3-benzodiazole
  • CHEMBL58581
  • benzimidazole analogue, 2
3 Ki 13 IC50
  • Cereblon/Histone deacetylase 1
  • Cereblon/Histone deacetylase 2
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • BRD3308
4 Ki 2 IC50
0 ΔG°
  • Glycerol kinase
  • Heat Shock Protein 90 (Hsp90)
  • S-adenosylmethionine synthetase (MAT 1 and MAT 2)
  • Sensor protein kinase WalK
  • tRNA synthetase (GlyRS)
  • ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid
  • 5-Adenylyl imidodiphosphate
  • AMP.P[NH]P
  • AMPPNP
9 Ki 7 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
  • CHEMBL22693
  • P33
1 Ki 11 IC50 2 Kd 2 EC50
  • Androgen Receptor
  • Bile acid transporter
  • CFTR inhibitory factor, Cif
  • Peroxisome proliferator-activated receptor
  • Proliferating cell nuclear antigen
  • Retinoic acid receptor RXR-alpha/gamma
  • Solute carrier organic anion transporter family member 1C1
  • Thyroid hormone receptor alpha
  • Thyroid hormone receptor beta
  • thyroid beta
  • 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
  • CHEMBL41632
  • TRIAC
  • Tiratricol
  • Triiodothyroacetic acid, 3
  • US10322118, Entry Tiratricol
14 IC50 1 Kd
0 ΔG°
  • Aldehyde oxidase
  • Alpha-glucosidase MAL12
  • Beta-lactamase
  • Catalase
  • D-Aspartate Oxidase (DDO)
  • D-amino-acid oxidase
  • Tyrosinase
  • Benzoic acid
  • SAMPL4, O1
16 Ki
  • Dual specificity protein phosphatase (VHR)
  • Dual specificity protein phosphatase CDC14A
  • Dual specificity protein phosphatase VHX (VHX)
  • Fas-associated protein-tyrosine phosphatase 1 (FAP1)
  • Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Leukocyte common antigen
  • Low molecular weight phosphotyrosine protein phosphatase
  • Protein phosphatase 2A regulatory subunit B'
  • Protein-tyrosine phosphatase 1B
  • Protein-tyrosine phosphatase MEG2 (PTP-Meg2)
  • Receptor-type tyrosine-protein phosphatase F (LAR)
  • Tyrosine-protein phosphatase non-receptor type 11
  • Tyrosine-protein phosphatase non-receptor type 2
  • US9217012, 10
16 IC50
  • B-RAF V600E
  • C-RAF
  • C-Raf TR (aa 1-324)
  • RAF proto-oncogene serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase (truncated)(325-648)
  • Serine/threonine-protein kinase B-raf
  • US10709712, Example 8
  • US9242969, 8
  • US9242969, 9
  • US9694016, 8
15 IC50 1 EC50
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 31
  • US10709712, Example 31
  • US9242969, 31
  • US9694016, 31
16 IC50
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 185
  • US10709712, Example 186
  • US9242969, 185
  • US9694016, 185
16 IC50
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 358
  • US10709712, Example 215
  • US9242969, 215
  • US9694016, 215
15 IC50 1 EC50
  • Cytochrome P450
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 3
  • Metabotropic glutamate receptor 4
  • Metabotropic glutamate receptor 6
  • Metabotropic glutamate receptor 7
  • Metabotropic glutamate receptor 8
  • Pregnane X receptor
  • mGluR2 and G alpha 16
  • US9278960, 2-7
  • US9663506, Example 2-7
6 Ki 4 IC50 6 EC50
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • 4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
  • CHEMBL262865
  • Morpholino-ethyl analogue, 32
15 Ki 1 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 7
  • D(2) dopamine receptor
  • Serotonin (5-HT) receptor
  • 6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
  • CHEMBL225284
  • LP-44
  • Piperazinehexanamide derivative, 5
16 Ki
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase 9 (DDP9 D301A)
  • Dipeptidyl peptidase 9 (DDP9 E286A)
  • Dipeptidyl peptidase 9 (DDP9 E296A/E297A)
  • Dipeptidyl peptidase 9 (DDP9 H289A)
  • Dipeptidyl peptidase 9 (DDP9 I288A)
  • Dipeptidyl peptidase 9 (DDP9 K299A)
  • Dipeptidyl peptidase 9 (DDP9 L295A)
  • Dipeptidyl peptidase 9 (DDP9 R298A)
  • Dipeptidyl peptidase 9 (DDP9 S292A)
  • Dipeptidyl peptidase 9 (DDP9 V285A)
  • Dipeptidyl peptidase 9 (DDP9 V290A)
  • Dipeptidyl peptidase 9 (DDP9 Y277A)
  • Dipeptidyl peptidase 9 (DDP9 Y303D)
  • Dipeptidyl peptidase 9 (DDP9 Y305A)
  • Dipeptidyl peptidase 9 (DDP9 Y305D)
  • E67 interacting loop (EIL)
  • SLRFLFEGQRIADNH
8 IC50 8 Kd
  • Adenosine receptor A3
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
16 IC50
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
  • Sodium channel alpha subunit
  • Sodium channel alpha subunits; brain (Types I, II, III)
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 8 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • Sodium channel protein type IX alpha subunit
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
  • US9212182, 672
15 Ki 1 Kd
  • Purine Nucleoside Phosphorylase (PNP)
  • Purine nucleoside phosphorylase
  • 7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
  • 7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
  • CHEMBL1213653
  • CHEMBL269864
  • DADMe-ImmH,7
16 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Beta-secretase 1
  • Beta-secretase 1 (BACE1)
  • Beta-secretase 2
  • Cathepsin D
  • Cytochrome P450 2D6
  • Cytochrome P450 2D6 (2D6)
  • Potassium voltage-gated channel subfamily H member 2
  • US9315520, 45
  • US9315520, Example 45
  • US9605007, Example 45
  • US9744173, Example 45
1 Ki 1 IC50 14 Kd
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1D adrenergic receptor
  • Beta-1 adrenergic receptor
  • HRH3
  • HTR4
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H4 receptor
  • Muscarinic acetylcholine receptor M3
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • 2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1-amine
  • Histaprodifen
16 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 24
  • US10435415, Example 24
  • US9334290, 23
  • US9334290, 24
  • US9850258, Example 24
16 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 62
  • US10435415, Example 62
  • US9334290, 28
  • US9850258, Example 62
16 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 43
  • US10435415, Example 43
  • US9334290, 42
  • US9334290, 43
  • US9850258, Example 43
16 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 65
  • US10435415, Example 65
  • US9334290, 64
  • US9334290, 65
  • US9850258, Example 65
16 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 69
  • US10435415, Example 69
  • US9334290, 68
  • US9334290, 69
  • US9850258, Example 69
5 Ki 11 IC50
  • Botulinum Neurotoxin Type A
  • Botulinum neurotoxin type A
  • (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide
  • BMC173072 Compound 2
  • BMCL176463 Compound 2
  • Cinnamic hydroxamate deriv., 18
16 IC50
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Phosphodiesterase 11 (PDE11)
  • Phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 3 (PDE3)
  • Phosphodiesterase 9A
  • cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  • cGMP-inhibited 3',5'-cyclic phosphodiesterase B
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • US9388139, 12
6 Ki 10 EC50
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP2 subtype
  • Prostaglandin E2 receptor EP4 subtype
  • Prostanoid TP receptor
  • US9394273, 10
  • US9394273, 8
  • US9394273, 9
16 IC50
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • US10053465, 24
  • US10065963, Compound 25
  • US10125150, Example 24
  • US10336759, # 24
  • US10479803, Example 24
  • US10519163, Example 24
  • US10675284, Example 24
  • US9732097, Example 24
  • {trans-3-(4-{[4- ({[(2R)-2- hydroxypropyl] amino}methyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}piperidin-1- yl)-1-[4-(7H- pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]cyclobutyl} acetonitrile
8 IC50 8 Kd
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • FLT3(D835H)
  • FLT3(D835Y)
  • Potassium voltage-gated channel subfamily H member 2
  • Receptor-type tyrosine-protein kinase FLT3 (K663Q)
  • Receptor-type tyrosine-protein kinase FLT3 (R834Q)
  • Tyrosine Kinase FLT3 Mutant (N841I)
  • Tyrosine-protein kinase receptor FLT3
  • US9447092, 1
14 IC50 2 EC50
  • Amine oxidase (flavin-containing) A
  • Arachidonate 5-lipoxygenase
  • Dual specificity phosphatase Cdc25B
  • Dual specificity protein phosphatase 1
  • Indoleamine 2,3-dioxygenase
  • MKP-3
  • Monoamine oxidase B (MAO-B)
  • Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
  • Transient receptor potential cation channel subfamily A member 1
  • beta-Hydroxyacyl-acyl carrier protein dehydratase (FtFabZ)
  • beta-Hydroxyacyl-acyl carrier protein dehydratase (YpFabZ)
  • 5-hydroxy-1,4-dihydronaphthalene-1,4-dione
  • 5-hydroxy-1,4-naphthoquinone, 4
  • CHEMBL43612
  • Juglone
  • Juglone (6a)
16 IC50
  • Retinol-binding protein 4
  • Transthyretin
  • spa binding assay for rbp4
  • US10072016, Compound 77
  • US10407433, Compound 77
  • US9434727, 73
  • US9434727, 77
  • US9777010, Compound 77
11 Ki 5 IC50
  • Melanin-concentrating hormone receptor 2/HERG
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neurokinin 3 receptor
  • Neuromedin-K receptor
  • Potassium voltage-gated channel subfamily H member 2
  • Transcriptional regulator ERG
  • US10065961, Compound 11
  • US10683295, Compound 11
  • US9475814, 11
11 Ki 5 IC50
  • Melanin-concentrating hormone receptor 2/HERG
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neurokinin 3 receptor
  • Neuromedin-K receptor
  • Potassium voltage-gated channel subfamily H member 2
  • Transcriptional regulator ERG
  • US10065961, Compound 31
  • US10683295, Compound 31
  • US9475814, 31
5 Ki 11 IC50
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Serine/threonine-protein kinase RIPK2
  • Tyrosine- and threonine-specific cdc2-inhibitory kinase
  • Vascular endothelial growth factor receptor 2
  • 3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methylphenol
  • 6-substituted 4-anilinoquinoline, 38
8 IC50 8 EC50
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Nuclear receptor ROR-alpha
  • Nuclear receptor ROR-beta
  • Nuclear receptor ROR-gamma
  • Nuclear receptor ROR-gamma (RORC)
  • Nuclear receptor subfamily 1 group I member 2
  • Oxysterols receptor LXR-alpha
  • Oxysterols receptor LXR-beta
  • US9458171, 95
16 IC50
  • CDK2/CycE
  • CDK2/Cyclin A1
  • CDK6/CycD3
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • US10189849, Compound 28
  • US9464092, Q
  • US9527857, Q
  • US9957276, Compound 28
6 Ki 10 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 65
  • US10150765, Example 65
  • US10703749, Example 65
  • US9464084, 65
6 Ki 10 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 188
  • US10150765, Example 188
  • US10703749, Example 188
  • US9464084, 188
6 Ki 10 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 271
  • US10150765, Example 271
  • US10703749, Example 271
  • US9464084, 271
5 Ki 4 IC50 7 Kd
  • 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
  • Multidrug resistance-associated protein 4
  • Bisoprolol
  • Bisoprolol fumarate
  • Concor
  • [2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine
3 Ki 10 IC50 1 Kd 1 EC50
0 ΔG°
  • Cereblon/Histone deacetylase 6
  • Free fatty acid receptor 3
  • Histone Lysine Demethylase
  • Histone deacetylase
  • Histone deacetylase 1
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • Methyl-accepting chemotaxis protein (McpS)
  • Solute carrier family 22 member 20
  • Solute carrier family 22 member 6
  • Butyrate
  • butanoic acid
  • butanoic acid, 4
15 Ki
0 ΔG°
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • 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
  • 4-cyanophenol
  • 4-hydroxybenzonitrile
  • phenol derivative, 10
16 IC50
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • 5-((3-(2,6-difluoro-3,5- dimethoxyphenyl)-7-(1,3- dimethyl-1H-pyrazol-4-yl)-2- oxo-3,4-dihydropyrido[4,3- d]pyrimidin-1(2H)- yl)methyl)picolinonitrile
  • US10251892, Example 74
  • US10632126, Example 74
  • US9708318, 74
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3-methyl-1H- pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 1
  • US9604961, Example 1
  • US9714230, 1
  • US9908865, Example 1
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3,4- dimethyl-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 3
  • US9604961, Example 3
  • US9714230, 3
  • US9908865, Example 3
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3-methyl-4- phenyl-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 4
  • US9604961, Example 4
  • US9714230, 4
  • US9908865, Example 4
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(3-(2-fluorophenyl)-5-hydroxy- 1H-pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 5
  • US9604961, Example 5
  • US9714230, 5
  • US9908865, Example 5
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3-propyl-1H- pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 6
  • US9604961, Example 6
  • US9714230, 6
  • US9908865, Example 6
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(3-(2-chlorophenyl)-5-hydroxy- 1H-pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 7
  • US9604961, Example 7
  • US9714230, 7
  • US9908865, Example 7
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(3-benzyl-5-hydroxy-1H- pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 8
  • US9604961, Example 8
  • US9714230, 8
  • US9908865, Example 8
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3-(methoxymethyl)- 1H-pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 9
  • US9604961, Example 9
  • US9714230, 9
  • US9908865, Example 9
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-3-(phenoxymethyl)- 1H-pyrazol-1-yl)isonicotinic acid
  • US10173996, Example 10
  • US9604961, Example 10
  • US9714230, 10
  • US9908865, Example 10
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 11
  • US9604961, Example 11
  • US9714230, 11
  • US9908865, Example 11
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-benzyl-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 32
  • US9604961, Example 32
  • US9714230, 32
  • US9908865, Example 32
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(3-benzyl-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 33
  • US9604961, Example 33
  • US9714230, 33
  • US9908865, Example 33
16 IC50
  • Lysine-specific demethylase 4A
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • jmjd2a
  • 2-(3-phenethyl-1H-pyrazol-1- yl)isonicotinic acid
  • US10173996, Example 35
  • US9604961, Example 35
  • US9714230, 35
  • US9908865, Example 35
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-[5-(1H-indazol-6-ylmethoxy)- 1H-pyrazol-1-yl]pyridine-4- carboxylic acid
  • US10173996, Example 49
  • US9604961, Example 49
  • US9714230, 49
  • US9908865, Example 49
16 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-{5-[(1-methyl-1H-indazol-6- yl)methoxy]-1H-pyrazol-1- yl}pyridine-4-carboxylic acid
  • US10173996, Example 50
  • US9604961, Example 50
  • US9714230, 50
  • US9908865, Example 50
15 IC50 1 EC50
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A/5B
  • Lysine-specific demethylase 5B
  • 2-[5-[(4-chloro-2- methoxyphenyl)methoxy]pyrazol- 1-yl]pyridine-4-carboxylic acid
  • US10173996, Example 90
  • US9604961, Example 90
  • US9714230, 90
  • US9908865, Example 90
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