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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
5 Ki 7 IC50 1 EC50
  • CDK7/Cyclin H/MNAT1
  • PAK 1/CDC42
  • Serine/threonine-protein kinase PAK 4
  • CHEMBL3128043
  • US8530494, 203
  • US8530652, 114
  • US8530652, 63
13 IC50
  • ALK1
  • ALK2
  • ALK3
  • ALK4
  • ALK5
  • Activin receptor type-1
  • TGF-beta receptor type-1
  • Tyrosine-protein kinase Fyn
  • K02288a
  • US10688093, Compound 382_0087_0284
1 Ki 12 IC50
  • Acetylcholinesterase
  • Beta amyloid A4 protein
  • Cholinesterases
  • CHEMBL194823
  • N-{3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-5-(1,2-dithiolan-3-yl)pentanamide
  • tacrine-lipoic acid hybrid 7
13 IC50
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • BROMOMETHOXYPHENYL INHIBITOR
  • valine aspartyl ketone 29
  • valine aspartyl ketone 6
  • valine aspartyl ketone analog 10
13 IC50
  • 5-hydroxytryptamine 1D receptor (5HT1D)
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • CHEMBL1957350
  • US8586620, 46
13 IC50
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
  • US8575157, 201
  • US8592410, Comparator 13
  • US8598163, 71
10 IC50 3 EC50
  • Egl nine homolog 1
  • Prolyl hydroxylase EGLN3
  • Vascular endothelial growth factor A
  • US8598210, Table XV, 4
  • US8722895, 4: [(3-Hydroxy-5-(4-methylphenyl)pyridine-2- carbonyl)amino]-acetic acid
  • US9598370, Example 00129
  • USRE47437, Example [(3-Hydroxy-5-(4-methylphenyl)pyridine-2-carbonyl)amino]-acetic acid
13 IC50
  • Acetylcholinesterase
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Butyrylcholinesterase (BChE)
  • Cholinesterase
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • 3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-hexyl-N-methylcarbamate
  • CHEMBL356385
  • Phenethylamine deriv. 53d
13 IC50
  • 3-phosphoinositide dependent protein kinase-1
  • Axin-1/Glycogen synthase kinase-3 beta
  • Casein Kinase I
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Dual specificty protein kinase CLK1
  • Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
  • Glycogen Synthase Kinase-3, beta
  • Serine/threonine-protein kinase pim-1
  • cAMP-Dependent Protein Kinase (PKA)
  • cGMP-Dependent Protein Kinase
  • 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
  • Meridianin C
1 Ki 5 IC50 7 Kd
  • Chitinase (chiA1)
  • Chitinase 1
  • Chitinase B
  • Chitinase Mutant (A217G)
  • Chitinase Mutant (D175A)
  • Chitinase Mutant (E322A)
  • Chitinase Mutant (M243A)
  • Chitinase Mutant (R301K)
  • Chitinase Mutant (T138A)
  • Endochitinase B1
  • (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
  • Argifin
11 Ki 2 IC50
  • 72 kDa type IV collagenase
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase 12
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
  • Stromelysin-1
  • 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
  • CHEMBL316169
  • Hydroxamate 18
11 Ki 2 IC50
  • 72 kDa type IV collagenase
  • Collagenase 3
  • Disintegrin and metalloproteinase domain-containing protein 17
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • CHEMBL100570
  • N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)methyl]isothiazolidine-3-carboxamide 1,1-dioxide
  • N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1,2-thiazolidine-3-carboxamide
  • Sultam Hydroxamate 15a
13 IC50
  • Beta-secretase 1
  • Beta-secretase 2
  • IDH1 R132H
  • US10035794, Example 24
  • US10683287, Example 35
  • US8637508, 24
1 Ki 12 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • MAP kinase ERK1
  • Mitogen-activated protein kinase 1
  • Potassium voltage-gated channel subfamily H member 2
  • US8697715, 1
  • US9259470, 1
2 Ki 11 IC50
  • CDK2/CycE
  • CDK2/Cyclin A/Cyclin A1
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-Dependent Kinase 7 (CDK7)
  • Cyclin-Dependent Kinase 9 (CDK9)
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 4
  • Cyclin-dependent kinase 7
  • Cyclin-dependent kinase 9
  • 4-Arylazo-3,5-diamino-1H-pyrazole 31b
  • 4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol
  • CAN508
1 Ki 12 IC50
  • 72 kDa type IV collagenase
  • Collagenase 3
  • Interstitial collagenase
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • Matrix metalloproteinase-9
  • Stromelysin-1
  • (2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-methylbutanoic acid
  • CHEMBL43152
  • alpha-arylsulfonylamino carboxylate 2S
4 Ki 5 IC50 4 Kd
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Orexin receptor type 1
  • Orexin receptor type 2
  • Potassium voltage-gated channel subfamily H member 2
  • US8742106, 1.6
3 Ki 10 IC50
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(1-methyl-1H-imidazol-4-yl)pyridine
  • CHEMBL360999
  • US8609708, 5
  • cid_11344157
  • nicotine 3-heteroaromatic analogue 5
3 Ki 10 IC50
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(2-methyl-1H-imidazol-1-yl)pyridine
  • CHEMBL368883
  • US8609708,13
  • cid_16654686
  • nicotine 3-heteroaromatic analogue 9
3 Ki 10 IC50
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(4-methylthiophen-3-yl)pyridine
  • CHEMBL179704
  • US8609708, 17
  • US8609708,17
  • nicotine 3-heteroaromatic analogue 11
3 Ki 8 IC50
0 ΔG°
  • Farnesyl Diphosphate Synthase (FPPS)
  • Farnesyl diphosphate synthase
  • Geranylgeranyl Diphosphate Synthase (GGPPS)
  • Squalene synthetase
  • Bisphosphonate 2
  • CHEMBL997
  • JMC515594 Compound 53
  • {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
13 Ki
  • 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 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide
  • Dorzolamide, DZA
  • sulfonamide 5
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • Proto-oncogene tyrosine-protein kinase Src
  • Vascular endothelial growth factor receptor 2
  • US10689705, Compound 7
  • US8829199, 196
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • Proto-oncogene tyrosine-protein kinase Src
  • Vascular endothelial growth factor receptor 2
  • US10689705, Compound 46
  • US8829199, 200
13 Ki
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin II
  • Trypsin-1
  • Vitamin K-dependent protein C
  • 3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide
  • CHEMBL327600
  • Sulfonamidopyrrolidinone 3a
13 Ki
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin-1
  • Urokinase (uPA) Mutant (S190A)
  • Urokinase-type plasminogen activator
  • APC-11417
  • CA-12
  • CRA-11417
  • {amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
11 Ki 2 IC50
  • Coagulation factor X
  • Kallikrein 1
  • Kallikrein 5
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Urokinase-type plasminogen activator
  • APC-7136
  • CHEMBL64708
  • N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE
  • N-(4-carbamimidoylphenyl)-2-hydroxybenzamide
6 Ki 7 IC50
  • Beta-secretase 1
  • Beta-secretase 2
  • Cathepsin D
  • US8940748, 34
  • US9029362, 34
  • US9687494, 34
13 IC50
  • Anandamide amidohydrolase
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Fatty-acid amide hydrolase 1
  • US9682953, 20.A-5
2 Ki 11 IC50
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
  • Phosphodiesterase 8
  • Phosphodiesterase Type 10 (PDE10A)
  • Phosphodiesterase Type 11 (PDE11A)
  • Phosphodiesterase Type 2 (PDE2A)
  • Phosphodiesterase Type 3 (PDE3B)
  • Phosphodiesterase Type 4 (PDE4B)
  • Phosphodiesterase Type 4 (PDE4D)
  • Phosphodiesterase Type 5 (PDE5A)
  • Phosphodiesterase Type 7 (PDE7B)
  • Phosphodiesterase Type 9 (PDE9A)
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid
  • 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid
  • Ariflo
  • Cilomilast
  • SB207499
13 IC50
  • Beta-secretase 1
  • Beta-secretase 2
  • Cathepsin D
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Potassium voltage-gated channel subfamily H member 2
  • US8962616, 22
  • US8962616, 4
13 IC50
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase AKT
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase Sgk1
  • 2,3-diphenylquinoxaline 1
  • 2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine
13 Ki
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • 4-Azidobenzenesulfonamide
  • 4-azidobenzene-1-sulfonamide
  • CHEMBL222837
  • azide 1
12 IC50
0 ΔG°
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 8
  • Histone deacetylase 8 (HDAC8)
  • Thiol-SAHA (t-SAHA)
13 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 2D6 (2D6)
  • H3K27me2
  • H3K27me3
  • Histone-lysine N-methyltransferase EZH2
  • US10098888, Compound 105
  • US9006242, 105
4 Ki 9 IC50
  • Cytochrome P450 2C19
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • Potassium voltage-gated channel subfamily H member 2
  • US10047092, 16
  • US9040534, 16
5 Ki 8 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 72
  • US10053463, 72
  • US9040534, 71
  • US9040534, 72
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • ATP-sensitive inward rectifier potassium channel 1
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Inward rectifier potassium channel 2
  • Inward rectifier potassium channel 4
  • Renal Outer Medullary Potassium (ROMK)
  • Sodium channel protein type 2 alpha subunit
  • Voltage-gated calcium channel
  • US9056859, 72
10 Ki 3 IC50
  • Enoyl-ACP Reductase (FabI)
  • Enoyl-ACP Reductase (InhA)
  • Enoyl-ACP reductase (FabI1)
  • Enoyl-ACP reductase (Wt ypFabV)
  • Enoyl-ACP reductase T276S (T276S ypFabV)
  • Enoyl-[acyl-carrier-protein] reductase [NADH] (ftuFabl)
  • 2PP
  • 5-Ethyl-2-phenoxy-phenol
  • 5-butyl-2-phenoxylphenol
  • 5-ethyl-2-phenoxyphenol
  • AIDS227443
  • PT01
  • US10071965, Compound PT04
1 Ki 12 IC50
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • MAP kinase-activated protein kinase 2
  • Mitogen-activated protein kinase 11
  • Mitogen-activated protein kinase 14
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
  • 3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl}amino)-N-methoxy-4-methylbenzamide
  • CHEMBL225088
  • triaminotriazine aniline amide inhibitor, 1
6 Ki 7 IC50
  • Cytochrome P450 2D6 (2D6)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • US9085531, 40
2 Ki 11 IC50
  • Indoleamine 2,3-dioxygenase
  • Indoleamine 2,3-dioxygenase 1
  • Methionine aminopeptidase 2
  • Tryptophan 2,3-dioxygenase
  • 1,2,3-triazole analogue, 4
  • 5-phenyl-1H-1,2,3-triazole
2 Ki 11 IC50
  • Cytoplasmic tyrosine-protein kinase BMX
  • Epidermal growth factor receptor
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • US10280174, Comparative Compound 1
  • US8476284, 4
  • US8497277, 13
  • US8497277, 4
  • US9133201, 13
  • US9133201, 14
  • US9133201, 4
  • US9975882, comparative compound A
13 IC50
  • Angiopoietin-1 receptor
  • Fibroblast growth factor receptor 1
  • Hepatocyte growth factor receptor
  • Insulin-like growth factor I receptor
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase ZAP-70
  • Vascular endothelial growth factor receptor 2
  • 2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate
  • 2-aminopyrimidine carbamate, 43
5 Ki 5 IC50 3 EC50
  • Mu-type opioid receptor
  • US10736890, Compound TABLE B.1
  • US10752592, Compound nalbuphine
  • US9133125, Table D, nalbuphine
1 Ki 12 IC50
  • β-galactosidase
  • Acidic alpha-glucosidase
  • Glucosylceramidase
  • Lactase-glycosylceramidase
  • Lysosomal acid glucosylceramidase
  • Trehalase
  • Uncharacterized protein
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • (2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol
  • alpha-1-C-Butyl-DNJ
13 IC50
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • 5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid
  • CHEMBL37520
  • Diaminopyrimidine, 22
13 Ki
  • 5-hydroxytryptamine receptor 1A (5HT1A)
  • 5-hydroxytryptamine receptor 1D (5HT1D)
  • 5-hydroxytryptamine receptor 2A (5HT2A)
  • 5-hydroxytryptamine receptor 2B (5HT2B)
  • 5-hydroxytryptamine receptor 2C (5HT2C)
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Alpha-1A adrenergic receptor
  • Alpha-1B adrenergic receptor
  • Alpha-1D adrenergic receptor
  • D(2) dopamine receptor
  • Dopamine D1 receptor
  • Dopamine D3 receptor
  • Dopamine D4 receptor
  • US9079895, 19s
13 Ki
  • Dihydrofolate reductase
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase (TS)
  • 1,8-naphthalein derivative, 10
  • 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one
  • A15
  • A156
  • Alpha 156
  • CHEMBL67116
10 Ki 3 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • CHEMBL22405
  • P16
  • methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate
10 Ki 3 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
  • CHEMBL21799
  • P13
10 Ki 3 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
  • CHEMBL22039
  • P38
9 IC50 4 EC50
  • Thyroid hormone receptor alpha
  • Thyroid hormone receptor beta
  • 2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid
  • KB-131092
  • dibromo phenylacetic acid, 11a
13 IC50
  • Sodium channel alpha subunit
  • 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 XI alpha subunit
  • Voltage-gated sodium channel subunit alpha Nav1.4
  • Voltage-gated sodium channel subunit alpha Nav1.4 (I757A)
  • Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A)
  • US9174999, Table 1, Compound 1
4 Ki 2 IC50 7 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP2 subtype
  • Prostaglandin E2 receptor EP4 subtype
  • US9180116, 2C
9 IC50 4 EC50
  • Cathepsin K
  • (1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-[4-(methylsulfanyl)phenyl]phenyl}cyclohexane-1-carboxamide
  • BMCL173146 Compound (+/-)-1
  • BMCL173146 Compound (-)-1
  • CHEMBL201782
  • Cyclohexanecarboxamide derivative, (-)-34a
  • Cyclohexanecarboxamide derivative, rac-34
  • racemic mixture
5 IC50 6 Kd 1 EC50 0 Other
  • Androgen receptor
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 142 (CYP142)
  • DNA polymerase (alpha/delta/epsilon)
  • DNA polymerase beta
  • Nuclear receptor ROR-gamma (RORC)
  • OSBP-related protein 4 (ORP4L)
  • OSBP-related protein 4 (ORP4S)
  • Oxysterols receptor LXR-alpha
  • P-glycoprotein 1
  • Sterol 14α-demethylase (CYP51)
  • Tryptophan-rich sensory protein/translocator protein (TSPO)
  • (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
  • cholesterol
13 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 (aa 1-324)
  • RAF proto-oncogene serine/threonine-protein kinase (truncated)(325-648)
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 42
  • US10709712, Example 43
  • US9242969, 43
13 IC50
  • Coagulation factor X
  • Complement factor B (FB) catalytic domain
  • Complement factor D
  • Complement factor D (FD) catalytic domain (Human fD)
  • Kalligrein-7 Y180R (KLK7)
  • Kallikrein 5
  • Kallikrein 7
  • Leukocyte elastase
  • Prothrombin
  • Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carbamoyl)pyrrolidine-1-carboxamido)-methyl)benzoate (2)
4 Ki 6 IC50 3 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Beta-hexosaminidase subunit beta (Hex B)
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • L-type calcium channel alpha-1c/beta-2/alpha2delta-1
  • N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)
  • Nuclear receptor subfamily 1 group I member 2
  • Protein O-GlcNAcase
  • Sodium channel protein type 5 subunit alpha
  • US9243020, 2
  • US9815861, Example 2
1 IC50 12 Kd
  • Chlorite dismutase (HemQ)
  • Glutathione transferase (GST)
  • His8-Native/FLAG-Native
  • His8-Native/His8-Native
  • His8-R120A/His8-R120A
  • His8-R120Q/His8-R120Q
  • His8-S530A/FLAG-Native
  • His8-S530A/His8-S530A
  • His8-Y385F R120A/FLAG-Native
  • His8-Y385F/FLAG-Native
  • His8-Y385F/His8-Y385F
  • Tryptophan-rich sensory protein/translocator protein (TSPO)
  • 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
  • Haemin
  • Heme
4 Ki 6 IC50 3 EC50
  • Cholecystokinin A receptor
  • Cholecystokinin receptor
  • Delta-type opioid receptor
  • Mu-type opioid receptor
  • (3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-amino-3-formamidopropanoic acid]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetamido}-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
  • Asp-Tyr-D-Phe-Gly-Trp-NMeNle-Asp-Phe-NH2
  • CHEMBL407057
  • SNF-9007
5 Ki 8 IC50
  • GluN1/N2A
  • GluN1/N2B
  • GluN1/N2C
  • GluN1/N2D
  • Glutamate receptor 1
  • 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinoxalin-4(5H)-one
  • TK40
8 IC50 5 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, (R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
13 IC50
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 6
  • Epidermal growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • MAP kinase-activated protein kinase 2
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase kinase kinase 8
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase Src
  • RAF proto-oncogene serine/threonine-protein kinase
  • Stromelysin-1
  • 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
  • CHEMBL436817
  • Cyanoquinoline, 11
13 IC50
  • SYK Kinase
  • GTC000266A
  • GTC000266B
  • GTC000266C
2 Ki 5 IC50 6 Kd
  • ATP-citrate synthase
  • Cell cycle histidine kinase CckA
  • Heat Shock Protein 90 (Hsp90)
  • Heat shock protein HSP 90-alpha
  • Heat shock protein HSP 90-beta
  • Heat-shock protein 90 (Hsp90)
  • Virulence sensor histidine kinase PhoQ
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
  • Radicicol
13 IC50
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Multidrug resistance-associated protein 4
  • P-gp nanodisc·BD-verapamil
  • P-gp nanodisc·BD-vinblastine
  • Proteasome Macropain subunit
  • Proteasome component C5
  • Proteasome subunit beta type-1/beta type-5
  • Vinblastine
11 Ki 1 Kd 1 EC50
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Histamine receptor (H3 and H4)
  • CHEMBL12344
  • Dimaprit
  • [3-(carbamimidoylsulfanyl)propyl]dimethylamine
12 Ki 1 IC50
  • Adenosine deaminase
  • Bile salt export pump
  • (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol
  • Covidarabine
  • Deoxycoformycin
  • Nipent
  • Pentostatin
13 IC50
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • US10106559, Example 27
  • US10435415, Example 27
  • US9334290, 27
  • US9850258, Example 27
9 IC50 4 EC50
  • Cell division protein kinase 5
  • Human immunodeficiency virus type 1 integrase
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • POsterior Segregation family member (pos-1)
  • RecName: Full=Zinc finger protein mex-5
  • Serine/threonine-protein kinase 33
  • Trypanosoma brucei RNA editing ligase 1
  • Zinc aminopeptidase
  • alpha-Amylase
  • lens epithelium-derived growth factor p75
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one
  • 6-Methoxyluteolin
  • CHEMBL172350
  • Eupafolin
  • cid_5317284
1 Ki 11 IC50
0 ΔG°
  • Androgen receptor
  • Casein kinase II subunit alpha
  • Casein kinase II subunit alpha 3
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Nuclear receptor subfamily 1 group I member 2
  • Transcriptional Regulator TtgR
  • 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one
  • 7,12-Dihydroxycoumestan
  • CHEMBL30707
  • Chrysanthin
  • Coumestrol
  • Cumoestrol
  • US8552057, 3
4 Ki 9 IC50
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Dual specificity protein kinase TTK
  • US10479788, Example 68
  • US9409907, 68
2 Ki 11 IC50
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Dual specificity protein kinase TTK
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase 9
  • Serine/threonine-protein kinase PLK1
  • US10479788, Example 77
  • US9409907, 77
7 Ki 6 IC50
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • US9422235, 12
9 Ki 4 IC50
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neuromedin-K receptor
  • Neuromedin-K receptor (NK-3 receptor)
  • Potassium voltage-gated channel subfamily H member 2
  • US10030025, Compound 27
  • US9422299, 27
  • US9987274, Compound 27
9 Ki 4 IC50
  • Melanin-concentrating hormone receptor 2/HERG
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neurokinin 3 receptor
  • Neuromedin-K receptor
  • Neuromedin-K receptor (NK-3 receptor)
  • Potassium voltage-gated channel subfamily H member 2
  • hnk-3
  • US10836768, Cpd no 29
  • US9422299, 29
  • US9987274, Compound 29
13 EC50
  • Serine protease NS3-NS5B
  • Serine protease NS5A (L28T)
  • Serine protease NS5A (L31F)
  • Serine protease NS5A (L31M)
  • Serine protease NS5A (L31V)
  • Serine protease NS5A (R30H)
  • Serine protease NS5A (Y93C)
  • Serine protease NS5A (Y93H)
  • US9427428, 17
  • US9427428, 21
3 Ki 10 IC50
  • Hepatocyte growth factor receptor
  • Vascular endothelial growth factor receptor 2
  • 3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-phenylacetyl)thiourea
  • CHEMBL404881
  • Inhibitor III
13 EC50
  • Arachidonate 5-lipoxygenase
  • Peroxisome proliferator-activated receptor
  • Retinoic acid receptor RXR-alpha/gamma
  • Retinoid X receptor gamma/retinoic acid receptor alpha
  • Retinoid receptor
  • 2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyrimidin-2-yl]sulfanyl}acetic acid
  • Pirinixic acid-based compound, 2g
13 IC50
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • 4-[(4-{3-cyano-2-[4- (7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]propyl}piperazin- 1-yl)carbonyl]-3- fluorobenzonitrile
  • US10053465, 5
  • US10065963, Compound 5
  • US10125150, Example 5
13 IC50
  • High affinity nerve growth factor receptor
  • Mitogen-activated protein kinase kinase kinase 10
  • Mitogen-activated protein kinase kinase kinase 11
  • Mitogen-activated protein kinase kinase kinase 9
  • Mitogen-activated protein kinase kinase kinase 9 (MLK1)
  • Mixed Lineage Kinase 1 (MLK1)
  • Mixed Lineage Kinase 3 (MLK3)
  • Protein delta homolog 1
  • Protein kinase C (PKC)
  • CEP-1347
  • CHEMBL290352
  • methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)methyl]-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
11 Ki 2 IC50
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neurokinin 3 receptor
  • Neuromedin-K receptor
  • US10065961, Compound 17
  • US10683295, Compound 17
  • US9475814, 17
4 Ki 9 IC50
  • Farnesyl diphosphate synthase
  • Farnesyl pyrophosphate synthase
  • Geranylgeranyl Diphosphate Synthase (GGPPS)
  • (1-hydroxy-1-phosphonoheptyl)phosphonic acid
  • CHEMBL55264
  • bisphosphonate, 10
1 IC50 12 EC50
  • 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, 101
1 IC50 12 EC50
  • 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, 489
1 IC50 12 EC50
  • 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, 533
1 Ki 12 IC50
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 211
  • US10150765, Example 211
  • US10703749, Example 211
  • US9464084, 211
3 IC50 1 Kd 9 EC50
  • Adenosine Phosphosulfate Reductase (APSR)
  • Beta lactamase
  • G protein signalling regulator 19
  • G2/mitotic-specific cyclin-B1
  • Indoleamine 2,3-dioxygenase
  • RGS7
  • Regulator of G-protein signaling 8
  • Toll-like receptor 9
  • WEE1 homolog (S. pombe)
  • mRNA interferase toxin, antitoxin is MazE
  • regulator of G-protein signaling 4
  • regulator of G-protein signalling 16
  • 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidopyridin-1-ium
  • NSC228155
  • cid_313619
13 IC50
  • Aurora kinase A/Targeting protein for Xklp2
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • MRCK alpha
  • RAC-alpha serine/threonine-protein kinase
  • Rho-associated protein kinase 1
  • Rho-associated protein kinase 2
  • Rho-kinase (ROCK II)
  • cAMP-dependent protein kinase (PKA)
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
  • cid_5056270
  • pyridine-thiazole, 1
12 IC50 1 Kd
  • Aromatic-L-amino-acid decarboxylase
  • Bcl-2-like protein 1
  • Cell division control protein 42 homolog
  • Chain E, Fragment Double-D From Human Fibrin
  • DNA Ligase I
  • Group III secretory phopholipase A2
  • Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1
  • Regulator of G-protein signaling 17
  • Reverse transcriptase
  • 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21),23-nonaen-24-ium
  • CHEMBL490129
  • Pseudochelerythrine
  • Veadent
  • cid_5154
  • sanguinarine
  • sangvinarin
13 Ki
  • 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 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
  • Diulo
  • Metolazone
  • Microx
  • Zaroxolyn
1 Ki 2 IC50 10 EC50
  • Liver X Receptor alpha (LXR-alpha)
  • Liver X Receptor beta (LXR-beta)
  • Oxysterols receptor LXR-alpha
  • Oxysterols receptor LXR-beta
  • lxralpha
  • lxrbeta
  • 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
  • JMC517161 Compound 12
  • US10543183, Compound LXR-623
  • US10669296, Compound LXR-623
  • WAY-252623
6 IC50 7 Kd
  • EGF-R Tyrosine Kinase Mutant (G719S)
  • EGF-R Tyrosine Kinase Mutant (L858R)
  • EGF-R Tyrosine Kinase Mutant (L858R/T790M)
  • EGF-R Tyrosine Kinase Mutant (T790M)
  • Epidermal growth factor receptor
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Tyrosine-protein kinase Yes
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • AEE788
3 Ki 7 IC50 3 EC50
  • G-protein Coupled Receptor 54
  • KiSS-1 receptor
  • NPFF2
  • Neuropeptide FF receptor 1
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]butanediamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]butanediamide
  • CHEMBL376756
  • Kisspeptin-10
13 IC50
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-(5-{[4- (trifluoromethyl)benzyl]oxy}- 1H-pyrazol-1-yl)pyridine-4- carboxylic acid
  • US10173996, Example 54
  • US9604961, Example 54
  • US9714230, 54
  • US9908865, Example 54
12 IC50 1 EC50
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A/5B
  • Lysine-specific demethylase 5B
  • 2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl)methoxy]pyrazol-1- yl]pyridine-4-carboxylic acid
  • US10173996, Example 110
  • US9714230, 110
  • US9908865, Example 110
13 IC50
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • (2R)-2-[(2S)-2,4- dimethylpiperazin-1- yl]-N-(3-{2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin-4-yl}- 1H-indol-7-yl)propanamide
  • US10167276, Example 1
  • US10654835, Example 1
  • US9714236, 1
13 IC50
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • (2S)-2-[(2S)-2,4- dimethylpiperazin-1- yl]-N-(3-{2-[(3-ethoxy- 1-methyl-1H-pyrazol- 4-yl)amino]-5- fluoropyrimidin-4-yl}- 1H-indol-7-yl)propanamide
  • US10167276, Example 10b
  • US10654835, Example 10b
  • US9714236, 10b
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • (2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin-4- yl}-1H-indol-7- yl)-2-(4-methylpiperazin-1- yl)propanamide
  • US10167276, Example 25
  • US10654835, Example 25
  • US9714236, 25
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • (2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-yl)amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)- 2-(4-methylpiperazin-1- yl)propanamide
  • US10167276, Example 34
  • US10654835, Example 34
  • US9714236, 34
13 IC50
  • 1,3-beta-glucan synthase component GLS2
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • (2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin-4- yl}-1H-indol-7-yl)-2- (4-methylpiperazin-1- yl)propanamide
  • US10167276, Example 37
  • US10654835, Example 37
  • US9714236, 37
13 IC50
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • (2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amino]-5- fluoropyrimidin-4-yl}- 1H-indol-7-yl)-2- (4-methylpiperazin- 1-yl)butanamide
  • US10167276, Example 49
  • US10654835, Example 49
  • US9714236, 49
13 IC50
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • (2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amino]-5- fluoropyimidin-4-yl}- 1H-indol-7-yl)-3-methoxy- 2-(4-methylpiperazin-1- yl)propanamide
  • US10167276, Example 53
  • US10654835, Example 53
  • US9714236, 53
13 IC50
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK2 (aa 831-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK1 (aa 866-1154)
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • (2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl)amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)- 2-(4-methylpiperazin-1- yl)butanamide
  • US10167276, Example 62
  • US10654835, Example 62
  • US9714236, 62
2 Ki 11 IC50
  • Apurinic-apyrimidinic endonuclease 1 (APE-1)
  • Cdc25C
  • Dual specificity phosphatase Cdc25B
  • Dual specificity protein phosphatase (VHR)
  • Dual specificity protein phosphatase 6
  • Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1
  • Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
  • Protein-tyrosine phosphatase 1B
  • Receptor-type tyrosine-protein phosphatase beta (PTPβ)
  • phosphatase Cdc25
  • (2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-enoic acid
  • Compound 13778
13 IC50
  • 10 kDa chaperonin
  • 60 kDa chaperonin
  • Aurora kinase B
  • Cytochrome P450 19A1
  • Death-associated protein kinase 1
  • Fructose-1,6-bisphosphatase
  • HSP60/HSP10
  • Serine/threonine-protein kinase pim-1
  • Sialidase
  • Tau
  • Thiosulfate sulfurtransferase
  • 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one
  • CHEMBL253570
  • Gossypetin (23)
  • gossypetin
12 IC50 1 EC50
  • Fatty-acid amide hydrolase 1
  • Transient receptor potential cation channel subfamily A member 1
  • Transient receptor potential cation channel subfamily V member 1
  • N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
  • PF-622
  • US9169224, 19
13 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Sodium channel alpha subunit
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 8 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • N-(7-(adamantan-1-ylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]-pyridin-3-yl)-cyclopropanesulfonamide
  • US9550775, 1
13 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Sodium channel alpha subunit
  • Sodium channel protein type 2 alpha subunit
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanesulfonamide
  • US9550775, 106
  • US9550775, 51
13 IC50
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (A162V)
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (E166D)
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (L159M)
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (T222A)
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T)
  • 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T/T222A)
  • 3-phosphoinositide-dependent protein kinase 1 (aa 51-359)
  • Calcium/calmodulin-dependent protein kinase type II subunit delta
  • Phosphorylase Kinase
  • cAMP-Dependent Protein Kinase (PKA)
  • 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
  • BIM-3
  • Bisindolyl deriv. 19
13 EC50
  • Apelin receptor
  • Apelin receptor (APJ)
  • US10058550, Example 27.0
  • US10058550, Example 549.0
  • US10221162, Example 38.0
  • US9845310, Example 43.0
  • yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide
13 EC50
  • Apelin receptor
  • Apelin receptor (APJ)
  • (1R,2S)-1-cyclobutyl-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide and (1S,2R)-1-cyclobutyl-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide or (1S,2S)-1-cyclobutyl-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide
  • US10058550, Example 386.0
  • US10058550, Example 389.0
  • US10221162, Example 391.0
  • US9845310, Example 391.0
13 EC50
  • Apelin receptor
  • Apelin receptor (APJ)
  • (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(2-methyl-5-pyrimidinyl)-2-propanesulfonamide or (1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(2-methyl-5-pyrimidinyl)-2-propanesulfonamide or (1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(2-methyl-5-pyrimidinyl)-2-propanesulfonamide
  • US10058550, Example 500.0
  • US10058550, Example 501.0
  • US10058550, Example 502.0
  • US10058550, Example 503.0
  • US10221162, Example 502.0
  • US9845310, Example 503.0
5 Ki 8 IC50
  • Inhibitor of nuclear factor kappa-B kinase subunit alpha
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Inhibitor of nuclear factor kappa-B kinase subunit epsilon
  • Tyrosine- and threonine-specific cdc2-inhibitory kinase
  • 2-amino-3-phenyl-5-(pyridin-4-yl)benzamide
  • Amino-substituted diarylbenzamide, 8p
6 Ki 6 IC50 1 Kd
  • 3',5'-cyclic phosphodiesterase
  • 3-phosphoinositide dependent protein kinase-1
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • Poly [ADP-ribose] polymerase 1
  • Purine nucleoside phosphorylase
  • poly-ADP-ribose polymerase 2 (PARP2)
  • 4-HQN
  • 4-hydroxyquinazoline
  • CHEMBL266540
  • quinazolin-4-ol
13 IC50
  • IDH1 R132C
  • IDH1 R132H
  • IDH2(R140Q)
  • Isocitrate dehydrogenase 2 (IDH2)
  • BDBM279926
  • US10028961, Compound 4
  • US10172864, Compound 76
12 IC50 1 EC50
  • Histone lysine demethylase PHF8
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 3B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 6A
  • Lysine-specific histone demethylase 1A
  • US10022354, Example 78
13 IC50
  • C-C chemokine receptor type 4
  • C-C chemokine receptor type 6 (CCR6)
  • C-X-C chemokine receptor type 1
  • C-X-C chemokine receptor type 2
  • chemokine (C-X-C motif) receptor 3
  • 2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)-(2-methyltetrahydrofuran-2-yl)methyl]amino}-3,4-dioxocyclobut-1-enylamino)benzamide
  • US9580412, Example 1
13 IC50
  • JAK1 (aa 850-1154)
  • JAK1 (aa 866-1154)
  • JAK2 (aa 808-1132)
  • JAK3 (aa 781-1124)
  • JAK3 (aa 811-1124)
  • Non-receptor tyrosine-protein kinase TYK2
  • TYK2 (aa 871-1187)
  • TYK2 (aa 888-1187)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US10112907, Example 00027
  • US10206907, Compound 176
  • US10766894, Compound TABLE 1.12
  • US10875847, Compound GLPG0634
13 IC50
  • Glycogen synthase kinase-3
  • Mitogen-activated protein kinase 14
  • Potassium voltage-gated channel subfamily H member 2
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase SYK
  • 4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoylamino]-1-naphthyl]oxy]-2-pyridyl]amino]-2-methoxy-N-(1-methyl-4-piperidyl)benzamide
  • US10125100, Example 17(j)
  • US10392346, Example 17(j)
  • US9751837, Example 17(j)
13 IC50
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 14
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase Lck
  • 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
  • PD 166285 analog
  • PD166326
11 IC50 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • DNA damage-inducible transcript 3 protein
  • Focal adhesion kinase 1
  • LAP4
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • RPL19A
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 2
  • Sphingosine 1-phosphate receptor 3
  • XBP1
  • protein artemis isoform a
  • 1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid (1H-benzoimidazol-2-yl)-amide
  • MLS000027148
  • N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-keto-quinoline-3-carboxamide
  • N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxo-3-quinolinecarboxamide
  • N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide
  • N-(1H-benzimidazol-2-yl)-1-ethyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide
  • N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-keto-quinoline-3-carboxamide
  • SMR000012636
  • cid_654742
10 IC50 3 EC50
  • 5-hydroxytryptamine receptor 1A
  • DNA damage-inducible transcript 3 protein
  • Nuclear receptor ROR-alpha
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 1
  • Sphingosine 1-phosphate receptor 3
  • Steroidogenic Factor 1
  • XBP1
  • 4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole
  • 4-[4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole
  • 4-[4-(3-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole
  • 4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
  • MLS000078378
  • SMR000040805
  • cid_659735
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