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Compounds Sorted Alphabetically
Compound Name (alphabetical)
Binding Targets
Enz. Inhib. Data
ITC Data
Alternate Compound Names
  • 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
16 IC50
  • US8552004, 2.03
  • HIV WT-A pol protein (wild-type clade A)
  • HIV WT-B pol protein (wild-type clade B)
  • HIV WT-C pol protein (wild-type clade C)
  • HIV-1 isolate WT-control pol protein (CNDO control strain)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
  • MDR1
  • MDRC4
5 Ki 6 EC50
  • (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2- methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AG-23)
  • HIV WT-A pol protein (wild-type clade A)
  • HIV WT-B pol protein (wild-type clade B)
  • HIV WT-C pol protein (wild-type clade C)
  • HIV-1 isolate WT-control pol protein (CNDO control strain)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
  • MDR1
  • MDRC4
5 Ki 6 EC50
  • N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72)
  • HIV WT-A pol protein (wild-type clade A)
  • HIV WT-B pol protein (wild-type clade B)
  • HIV WT-C pol protein (wild-type clade C)
  • HIV-1 isolate WT-control pol protein (CNDO control strain)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
  • MDR1
  • MDRC4
5 Ki 6 EC50
  • (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68)
  • HIV WT-A pol protein (wild-type clade A)
  • HIV WT-B pol protein (wild-type clade B)
  • HIV WT-C pol protein (wild-type clade C)
  • HIV-1 isolate WT-control pol protein (CNDO control strain)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
  • MDR1
  • MDRC4
5 Ki 6 EC50
  • N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77)
  • Acetylcholinesterase
  • Carboxylic ester hydrolase
  • Choline transporter
  • Plasminogen
  • Potassium voltage-gated channel subfamily H member 2
  • Prothrombin
  • Pteridine reductase 1
  • Trypsin
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • Voltage-gated potassium channel
  • Voltage-gated potassium channel subfamily A member 1/beta-1
4 Ki 6 IC50 1 Kd 1 EC50
  • 4-AP
  • 4-Aminopyridine 10
  • CHEMBL284348
  • DALFAMPRIDINE
  • pyridin-4-amine
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • Cytochrome P450 2A5
  • Cytochrome P450 2A6
  • Lysyl oxidase homolog 2
  • Phenylethanolamine N-methyltransferase
  • Thrombin & trypsin
  • Trace amine-associated receptor 1
  • Trace amine-associated receptor 1 (TAAR1)
  • Trypsin-1
  • trace amine-associated receptor 1
11 Ki 3 IC50 1 Kd 13 EC50
  • 14C-phenylethylamine
  • 2-phenylethan-1-amine
  • CHEMBL610
  • phenylethylamine
  • 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
15 IC50 1 EC50
  • US8575157, 48
  • 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
13 IC50
  • 4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
  • Meridianin C
  • Acetylcholinesterase
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterases
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Monoamine oxidase type B (MAO-B) Mutant (I199F)
  • Multidrug resistance-associated protein 4
8 Ki 95 IC50
  • (1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
  • CHEMBL887
  • Rasagiline
  • US9034303, Rasagiline
  • 72 kDa type IV collagenase
  • Bone morphogenetic protein 1
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Meprin A subunit beta
  • Neutrophil collagenase
  • Stromelysin-1
11 Ki 3 IC50
  • 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
  • CGS 27023A Analog 22
  • Hydroxamate 12
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
11 IC50
  • US8685992, 14
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
22 IC50
  • US8685992, 27
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
11 IC50
  • US8685992, 28
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
11 IC50
  • US8685992, 37
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 11A (PDE11A)
  • Phosphodiesterase 7B (PDE7B)
  • Phosphodiesterase 8
  • Phosphodiesterase 9A
  • cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 7B
  • cGMP-inhibited 3',5'-cyclic phosphodiesterase B
  • cGMP-specific 3',5'-cyclic phosphodiesterase
20 IC50
  • US8741907, 3
  • US9067945, 2
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
11 IC50
  • US8748458, 4
  • 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
13 Ki
  • (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
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
38 Ki 2 Kd
  • CHEMBL283695
  • Compound 8
  • Topiramate Sulfamide Analogue 8
  • amino-N-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}sulfonamide
  • 72 kDa type IV collagenase
  • Collagenase 3
  • Disintegrin and metalloproteinase domain-containing protein 17
  • Interstitial collagenase
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • Matrix metalloproteinase-9
  • Meprin A subunit beta
  • Neutrophil collagenase
  • Stromelysin-1
9 Ki 16 IC50
  • CGS 27023A Analog 3
  • N-hydroxy-2-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]acetamide
  • BDNF/NT-3 growth factors receptor
  • Hepatocyte growth factor receptor
  • High affinity nerve growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Mitogen-activated protein kinase kinase kinase 5
  • NT-3 growth factor receptor
  • Proto-oncogene tyrosine-protein kinase ROS
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase receptor R3
11 IC50
  • US10683289, Example Staurosporine
  • US8822500, Stauro- sporine
  • US9920060, Staurosporine
  • Rho-kinase (ROCK II)
  • cAMP-Dependent Protein Kinase (PKA)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (E127D)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (L49I)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/Q181K/T183A)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/E127D/Q181K/T183A)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/Q181K/T183A)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (Q181K/T183A)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (T183A)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (V123M)
  • cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/Q181K/T183A)
11 IC50
  • KT5720
  • hexyl (15R,16S,18S)-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(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate
  • 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)
11 IC50
  • (R,S)-Mesopram
  • 5-(4-methoxy-3-propoxy-phenyl)-5-methyl-1,3-oxazolidin-2-one
  • 5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
  • Daxalipram
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 3A
  • Sodium channel alpha subunit
  • Sodium channel protein type 10 subunit alpha
  • 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
  • Sodium channel protein type IX alpha subunit
  • Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
22 IC50
  • US9012443, 261
  • Chromobox protein homolog 7 (CBX7)
  • E3 ubiquitin-protein ligase (UHRF1)
  • Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)
  • Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)
  • Lysine-specific demethylase 5A
  • MBT domain-containing protein 1 (MBTD1)
  • Methyl-lysine binding protein (53BP1)
  • PHD finger protein 1 (PHF1)
  • PHD finger protein 19 (PHF19)
  • PHD finger protein 23 (PHF23)
  • Tumor suppressor p53-binding protein 1
11 IC50
  • N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)
  • Chromobox protein homolog 7 (CBX7)
  • E3 ubiquitin-protein ligase (UHRF1)
  • Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)
  • Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)
  • Lysine-specific demethylase 5A
  • MBT domain-containing protein 1 (MBTD1)
  • Methyl-lysine binding protein (53BP1)
  • PHD finger protein 1 (PHF1)
  • PHD finger protein 19 (PHF19)
  • PHD finger protein 23 (PHF23)
  • Tumor suppressor p53-binding protein 1
11 IC50
  • N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide (20)
  • Chromobox protein homolog 7 (CBX7)
  • E3 ubiquitin-protein ligase (UHRF1)
  • Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)
  • Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)
  • Lysine-specific demethylase 5A
  • MBT domain-containing protein 1 (MBTD1)
  • Methyl-lysine binding protein (53BP1)
  • PHD finger protein 1 (PHF1)
  • PHD finger protein 19 (PHF19)
  • PHD finger protein 23 (PHF23)
  • Tumor suppressor p53-binding protein 1
11 IC50
  • N-(3-(Tert-butylamino)propyl)-3-(trifluoromethyl)benzamide (21)
  • Cyclin-dependent kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 2
  • Epidermal growth factor receptor
  • Heat shock protein beta-1
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase 9
  • PKC alpha and beta-2
  • Protein kinase C alpha type
  • RAF proto-oncogene serine/threonine-protein kinase
  • Tyrosine-protein kinase Lck
1 Ki 13 IC50
  • 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-methoxypyrimidine
  • 4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]-2-methoxypyrimidine
  • CHEMBL95692
  • SB-242235
  • SB242235
  • 1,3-beta-glucan synthase component GLS2
  • ATP-sensitive inward rectifier potassium channel 1
  • Acetylcholinesterase
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • L-type calcium channel alpha-1c/beta-2/alpha2delta-1
  • Renal Outer Medullary Potassium (ROMK)
  • Sodium channel protein type 5 subunit alpha
  • Sodium-dependent serotonin transporter
  • Somatostatin receptor type 1
29 IC50
  • US9018211, 2A
  • 3-phosphoinositide dependent protein kinase-1
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Fibroblast growth factor receptor 1
  • Platelet-derived growth factor receptor beta
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase Chk1/2
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
1 Ki 11 IC50
  • 2-(1H-indazol-3-yl)-1H-1,3-benzodiazole
  • 3-(1H-benzimidazol-2-yl)-1H-indazole
  • CHEMBL383990
  • Indazole Compound 2
  • ATP-binding cassette sub-family G member 2
  • Bile salt export pump
  • Corticosteroid-binding globulin
  • Cytochrome P450 1B1
  • Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Ghrelin O-acyltransferase
  • Solute carrier organic anion transporter family member 1A1
  • Steryl-sulfatase
  • Testis-specific androgen-binding protein
4 Ki 18 IC50 1 Kd 8 EC50
  • (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one
  • CHEMBL1405
  • Estrone
  • Estrone (E1)
  • Estrone, 15
  • Estrovarin
  • Kestrone
  • Theelin
  • Unigen
  • [2,4,6,7-3H]-E1
  • [2,4,6,7-3H]-Estrone
  • folliculin
  • 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
3 Ki 13 IC50
  • BRD3308
  • Anandamide amidohydrolase
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Cytochrome P450 3A5 (CYP3A5)
  • LDL-associated phospholipase A2
  • Monoacylglycerol lipase ABHD6
  • Monoglyceride Lipase (MGL)
  • Monoglyceride lipase
14 IC50
  • US9133148, 9aq
  • Excitatory amino acid transporter 1
  • Excitatory amino acid transporter 2
  • Excitatory amino acid transporter 3
  • Excitatory amino acid transporter 4
  • GRIA3
  • Glutamate receptor ionotropic, NMDA 1
  • Glutamate transporter homolog
  • Glycosylasparaginase (GA)
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 6
5 Ki 8 IC50 1 Kd 3 EC50
  • (2S)-2-aminobutanedioic acid
  • Aspartate
  • CHEMBL274323
  • L-Aspartate
  • L-Aspartic acid, 2
  • L-[14C]aspartate
  • Alpha-mannosidase 2C1
  • Lactase-glycosylceramidase
  • Lysosomal acid glucosylceramidase
  • Lysosomal alpha-glucosidase
  • Maltase-glucoamylase
  • Mannosidase 2 alpha 1
  • Mannosidase 2, alpha B1
  • Trehalase
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • alpha-glucosidase (Gaa)
3 Ki 10 IC50 1 EC50
  • (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
  • CHEMBL75971
  • N-Methyl-DNJ
  • US9181184, 2
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • Beta-galactosidase
  • Beta-glucosidase
  • Ceramide glucosyltransferase
  • Lysosomal acid glucosylceramidase
  • Probable alpha-glucosidase Os06g0675700
  • Sucrase-isomaltase
  • alpha-Glucosidase (alpha-Glu)
  • alpha-glucosidase (Gaa)
7 Ki 23 IC50
  • (2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
  • N-Nonyl-DNJ
  • Androgen Receptor
  • Androgen receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Estrogen receptor
  • Glucocorticoid
  • Multidrug resistance-associated protein 4
  • Progesterone Receptor (PR)
  • Progesterone receptor
  • mineralocorticoid
21 Ki 64 IC50 7 EC50
  • Bicalutamide
  • CHEMBL409
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide
  • US9126941, Bicalutamide
  • US9682960, CAS
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S))
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP)
  • Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP)
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP)
  • Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP)
18 IC50 2 Kd
  • 3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluoro-1H-indazol-3-yl)amino)-isonicotinic acid (N11)
  • US10040779, Example 73
  • US10336727, Example 73
  • US9617242, Example 73
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S))
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP)
  • Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP)
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP)
  • Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP)
16 IC50 2 Kd
  • 3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid (N12)
  • US10040779, Example 52
  • US10336727, Example 52
  • US9617242, Example 52
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
11 IC50
  • US9186318, 13
  • 3',5'-cyclic phosphodiesterase
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 10A (PDE10A2)
  • Phosphodiesterase 3 and 5 (PDE3 and PDE5)
  • Phosphodiesterase Type 10 (PDE10A)
17 IC50
  • US9193736, 40
  • Cytoplasmic tyrosine-protein kinase BMX
  • Epidermal growth factor receptor
  • Fyn/BTK
  • LCK/BTK
  • LynA/BTK
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase TEC
12 IC50 8 Kd
  • US9199997, 9
  • US9879013, 19(2)
  • ATP-binding cassette sub-family G member 2
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Arachidonate 5-lipoxygenase
  • Axin-1/Glycogen synthase kinase-3 beta
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Voltage-dependent T-type calcium channel subunit alpha-1H
  • Voltage-gated T-type calcium channel
  • cGMP-specific 3',5'-cyclic phosphodiesterase
10 IC50 4 EC50
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
  • 8-prenylnaringenin (8-PN)
  • AIDS095901
  • CHEMBL376915
  • YS04
  • cid_509245
  • Cholecystokinin
  • Heat Shock 70kDa Protein 1
  • P2X purinoceptor 2
  • P2X purinoceptor 3
  • P2Y purinoceptor 1
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y2
  • Thymidine Kinase (TK.dT)
  • adrenergic Alpha2
  • tRNA synthetase (GlyRS)
6 Ki 2 IC50 5 EC50
5 ΔG°
  • ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
  • ATP
  • Brimonidine ATP
  • CHEMBL14249
  • EBifunctional epoxide hydrolase 2
  • Equilibrative Nucleoside Transporter 1 (ENT1)
  • Low affinity sodium-glucose cotransporter
  • Pancreatic triacylglycerol lipase
  • Sodium/glucose cotransporter 1
  • Sodium/glucose cotransporter 1 (SGLT1)
  • Sodium/glucose cotransporter 2
  • Sodium/nucleoside cotransporter 1
  • Sodium/nucleoside cotransporter 2
  • Solute carrier family 28 member 3
  • Tyrosinase
5 Ki 34 IC50 13 EC50
  • 1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
  • CHEMBL241384
  • CHEMBL245067
  • JMC511145 Compound 1
  • O-glucoside, 1
  • Phlorizin
  • 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
7 IC50 4 Kd
  • US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
  • 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
13 IC50
  • 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
  • CHEMBL436817
  • Cyanoquinoline, 11
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Cytochrome P450 3A
  • Dihydrofolate reductase
  • Indoleamine 2,3-dioxygenase
  • Intestinal alkaline phosphatase
  • Large neutral amino acids transporter small subunit 1
  • Myeloperoxidase
  • Phospholipase A-2-activating protein
  • Stromelysin-1
  • Tryptophan 2,3-dioxygenase
  • Uracil nucleotide/cysteinyl leukotriene receptor
2 Ki 12 IC50
1 ΔG°
  • (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
  • CHEMBL54976
  • L-tryptophan
  • US9138393, L-Tryptophan
  • US9144538, L-Tryptophan
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
  • Bile Salt Export Pump, BSEP
  • Cereblon/Histone deacetylase 6
  • Cytochrome P450 3A
  • Dipeptidyl peptidase IV
  • HMG-CoA reductase
  • Histone deacetylase 1
  • Histone deacetylase 2
  • P-glycoprotein 1
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
2 Ki 22 IC50 1 EC50
  • (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
  • (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
  • ATORVASTATIN
  • Atorvastatin
  • CHEMBL1487
  • CI 981
  • Lipitor
  • US9353061, Atorvastatina
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • D(2) dopamine receptor
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M2
  • Norepinephrine transporter
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
16 Ki 12 IC50 6 Kd
  • 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
  • CHEMBL112280
  • CHEMBL286991
  • GBR 12935 Analogue, 36
  • GBR-13,069
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • D(2) dopamine receptor
  • Muscarinic acetylcholine receptor M2
  • Norepinephrine Monoamine transporters
  • Norepinephrine transporter
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Transporter
40 Ki 22 IC50 1 Kd
  • 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
  • CHEMBL295467
  • LY 135252
  • LY 94939
  • LY135252
  • LY139602
  • Nisoxetine
  • Nisoxetine Inhibitor
  • US9944618, Compound ID No. 177
  • [3-(2-methoxyphenoxy)-3-phenylpropyl](methyl)amine
  • [3H]NISOXETINE
  • [3H]Nisoxetine
  • nisoxetine
  • 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
1 Ki 1 IC50 14 Kd
  • 2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1-amine
  • Histaprodifen
  • L-lactate dehydrogenase A chain
  • L-lactate:NAD+ oxidoreductase A (LDH-A4)
  • L-lactate:NAD+ oxidoreductase B (LDH-B4)
  • L-lactate:NAD+ oxidoreductase C (LDH-C4)
  • Lactate Dehydrogenase
  • Lactate dehydrogenase (LDH)
  • Lactate dehydrogenase A (LDHA)
  • Lactate dehydrogenase B (LDHB)
  • Malate Dehydrogenase (pfMDH)
  • Malate Dehydrogenase, mitochondrial
  • Malate dehydrogenase cytoplasmic
5 Ki 14 IC50
  • Oxalamic acid
  • Oxamate
  • Oxamate, 3
  • Oxamidic Acid
  • carbamoylformic acid
  • 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
9 IC50 4 EC50
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one
  • 6-Methoxyluteolin
  • CHEMBL172350
  • Eupafolin
  • cid_5317284
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
11 Ki
  • 7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-methylcoumarine (1a)
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
11 Ki
  • 6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-methylcoumarine (1b)
  • 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)
14 IC50 2 EC50
  • 5-hydroxy-1,4-dihydronaphthalene-1,4-dione
  • 5-hydroxy-1,4-naphthoquinone, 4
  • CHEMBL43612
  • Juglone
  • Juglone (6a)
  • CDK2/CycE
  • CDK2/Cyclin A1
  • CDK6/CycD3
  • CDK9/Cyclin-H
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Dual specificity protein kinase TTK
  • NUAK family SNF1-like kinase 2
  • Serine/threonine-protein kinase Nek10
  • Serine/threonine-protein kinase ULK2
  • Tyrosine-protein kinase receptor FLT3
15 IC50 6 Kd 2 EC50
  • US9464092, GG
  • US9527857, GG
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 11B1, mitochondrial
  • Cytochrome P450 11B2 (CYP11B2)
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 21
  • Cytochrome P450 21A2
  • Cytochrome P450 3A
  • Multidrug resistance-associated protein 4
47 IC50
  • (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol
  • ABT
  • Abiraterone
  • CB 7598
  • CHEMBL254328
  • US9487554, Abiraterone
  • US9611270, Example 5, abiraterone
  • 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
13 IC50
  • 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one
  • CHEMBL253570
  • Gossypetin (23)
  • gossypetin
  • 1,3-beta-glucan synthase component GLS2
  • ATR/ATRIP
  • Cytochrome P450
  • Cytochrome P450 2C8
  • DNA-PK/Ku70/Ku85
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
  • Serine-protein kinase ATM
  • Serine/threonine-protein kinase ATR
  • Serine/threonine-protein kinase GAK
  • Serine/threonine-protein kinase RIO2
  • mTORC2
12 IC50 3 Kd
  • 2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
  • US10772893, Example 111
  • US9549932, 111
  • Alpha carbonic anhydrase
  • Astrosclerin-3
  • 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
26 Ki
  • CHEMBL1644696
  • CNO(-1)
  • cyanate
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Gamma-carbonic anhydrase
40 Ki
  • CHEMBL1644697
  • CN(-1)
  • cyanide
  • iminomethanide
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XV
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Gamma-carbonic anhydrase
38 Ki
  • BF4(-)
  • CHEMBL1780189
  • Tetrafluoroborate
  • tetrafluoroboranuide
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-(3,5-dibromophenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 1
  • US10577330, Example 1
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-(3-bromo-5-(trifluoromethyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 2
  • US10577330, Example 2
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-chloro-5-(difluoromethyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido]propanoic acid
  • US10035778, Example 3
  • US10577330, Example 3
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-bromo-5-(difluoromethyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido]propanoic acid
  • US10035778, Example 4
  • US10577330, Example 4
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-chloro-5-(trifluoromethyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido]propanoic acid
  • US10035778, Example 5
  • US10577330, Example 5
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-bromo-5-chloro-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido]propanoic acid
  • US10035778, Example 6
  • US10577330, Example 6
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-chloro-5-(trifluoromethyl)phenyl]3-[[2-[[5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid
  • US10035778, Example 7
  • US10577330, Example 7
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-(3-bromo-5-chloro-phenyl)-3-[[2-[[5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid
  • US10035778, Example 8
  • US10577330, Example 8
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]-3-[[2-[[5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid
  • US10035778, Example 9
  • US10577330, Example 9
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3,5-bis(trifluoromethyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido]propanoic acid
  • US10035778, Example 10
  • US10577330, Example 10
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-bromo-5-methyl-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 11
  • US10577330, Example 11
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-chloro-5-methyl-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 12
  • US10577330, Example 12
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 13
  • US10577330, Example 13
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-(3,5-dibromophenyl)-3-[[2-[[5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid
  • US10035778, Example 14
  • US10577330, Example 14
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3,5-dichloro-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 15
  • US10577330, Example 15
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-[3-chloro-5-(trifluoromethoxy)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 16
  • US10577330, Example 16
  • ITGA5/ITGB1
  • ITGA8/ITGB1
  • ITGAV/ITGB1
  • ITGAV/ITGB3
  • ITGAV/ITGB5
  • ITGAV/ITGB6
  • ITGAV/ITGB8
  • Integrin alpha5beta1
  • Integrin alpha5beta6
  • Integrin alpha8beta1
  • Integrin alphavbeta1
14 IC50
  • (3S)-3-(3-bromo-5-(trifluoromethoxy)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid
  • US10035778, Example 17
  • US10577330, Example 17
  • Epidermal growth factor receptor
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Macrophage-stimulating protein receptor
  • Mast/stem cell growth factor receptor Kit
  • Platelet-derived growth factor receptor alpha
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor FLT3
  • Tyrosine-protein kinase receptor UFO
  • Vascular endothelial growth factor receptor 2
31 IC50
  • BMS-777607
  • N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Peroxisome Proliferator-Activated Receptor alpha
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor delta
10 IC50 17 EC50
  • 2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)methyl](methoxycarbonyl)amino}acetic acid
  • BMS-687453
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 3A
  • Lysine-specific demethylase 3B
  • Lysine-specific demethylase 4A
  • Lysine-specific demethylase 4B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 4D
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 6B
  • Lysine-specific demethylase 7A/7B
  • jmjd3
13 IC50 1 EC50
  • 3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-
  • US10106534, Example 2
  • 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
13 IC50
  • US10112907, Example 00027
  • US10206907, Compound 176
  • US10766894, Compound TABLE 1.12
  • US10875847, Compound GLPG0634
  • Androgen Receptor
  • Androgen receptor
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Estrogen-Related Receptor, gamma
  • Estrogen-related receptor gamma
  • GTP-binding protein Rheb
  • GTPase KRas
  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase
  • Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
13 IC50 2 Kd 5 EC50
  • Bisphenol A (BPA)
  • Diphenylolpropane
  • US9688816, L
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • BZLF2
  • Bcl-2-like protein 1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • POsterior Segregation family member (pos-1)
  • RecName: Full=Zinc finger protein mex-5
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 3
  • tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide
3 Ki 4 IC50 8 EC50
  • (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate
  • (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid
  • (6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
  • (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid
  • (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
  • METHYSERGIDE MALEATE
  • MLS000069364
  • SMR000058483
  • cid_5281073
  • 5-hydroxytryptamine receptor 1A
  • Apoptotic peptidase activating factor 1
  • Caspase-9
  • DNA damage-inducible transcript 3 protein
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Lipoamide Dehydrogenase (Lpd)
  • MKP-3
  • Pyruvate dehydrogenase (PDH)
  • Sphingosine 1-phosphate receptor 3
  • XBP1
16 IC50 2 EC50
  • 2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide
  • 2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
  • 2-amino-N-isoamyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
  • 2-azanyl-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
  • MLS000041744
  • SMR000043890
  • US9073941, 1012
  • cid_663108
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • Myeloperoxidase (MPO)
  • Norepinephrine Monoamine transporters
  • Serotonin (5-HT) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • Sphingosine 1-phosphate receptor 3
  • Transient receptor potential cation channel subfamily M member 8 (TRPM8)
2 Ki 5 IC50 8 EC50
  • 2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochloride
  • 2-(5-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
  • 2-(5-fluoro-1H-indol-3-yl)ethylamine;hydrochloride
  • 5-F-T
  • CHEMBL275628
  • MLS000047815
  • SMR000033820
  • cid_197774
  • 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
11 IC50 2 EC50
  • 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
  • 5-hydroxytryptamine receptor 1A
  • Agp1p
  • DNA damage-inducible transcript 3 protein
  • LAP4
  • Nuclear receptor ROR-alpha
  • RPL19A
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 3
  • Steroidogenic Factor 1
  • Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial
  • XBP1
10 IC50 4 EC50
  • 2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl)pyrimidine
  • 2-mesyl-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine
  • 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
  • MLS000044645
  • SMR000022589
  • cid_3245258
  • PI3-kinase class I
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • Phosphatidylinositol 3-kinase catalytic subunit type 3
  • Phosphatidylinositol 3-kinase regulatory subunit beta
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
  • Target of rapamycin complex 2 subunit MAPKAP1
  • Target of rapamycin complex subunit LST8
  • mTOR/FKBP12A/FKBP12B
2 Ki 12 IC50 6 Kd
  • US10172858, Table 1.1
  • US10172858, Table 1.22
  • Apoptosis regulator Bcl-2
  • Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).
  • BCL-W
  • Bcl-2-related protein A1
  • Heat Shock 70kDa Protein 1
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • cardiac alpha tropomyosin
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • glutathione S-transferase
  • heat shock 70kDa protein 8 isoform 1
8 IC50 5 EC50
  • 1-Cyclopropyl-3-(2,3-di-furan-2-yl-quinoxalin-6-yl)-urea
  • 1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-cyclopropylurea
  • 1-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-cyclopropyl-urea
  • 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-cyclopropyl-urea
  • 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-cyclopropylurea
  • MLS000121102
  • SMR000118524
  • cid_1072898
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpha-chymotrypsin
  • Beta-lactamase AmpC
  • Bile acid receptor
  • DNA recombination protein RecA
  • Heme Oxygenase 1 (HO-1)
  • Heme Oxygenase 2 (HO-2)
  • Indoleamine 2,3-dioxygenase
  • Indoleamine 2,3-dioxygenase 1
  • Indoleamine 2,3-dioxygenase 2
  • Malate dehydrogenase cytoplasmic
12 IC50 3 EC50
  • Exelderm
  • SULCONAZOLE
  • Sulconazole Nitrate
  • cid_65495
  • sulconazole
  • BZLF2
  • Bfl-1
  • Corticotropin releasing factor receptor 2
  • DNA recombination protein RecA
  • Heat shock protein HSP 90-alpha
  • Human immunodeficiency virus type 1 REV
  • POsterior Segregation family member (pos-1)
  • RecName: Full=Zinc finger protein mex-5
  • defective in Germ Line Development family member (gld-1)
  • streptokinase A precursor
  • tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide
1 Ki 7 IC50 5 EC50
  • 7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid
  • 7-ketobenzo[e]perimidine-4-carboxylic acid
  • 7-oxidanylidenebenzo[e]perimidine-4-carboxylic acid
  • 7-oxo-4-benzo[e]perimidinecarboxylic acid
  • 7-oxobenzo[e]perimidine-4-carboxylic acid
  • CHEMBL166209
  • MLS000077061
  • SMR000008738
  • cid_72574
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpi
  • Estradiol receptor beta (ERβ)
  • Glucagon receptor
  • Heat shock protein HSP 90-alpha
  • Intestinal alkaline phosphatase
  • Phospholipase A-2-activating protein
  • large T antigen
  • leucine aminopeptidase
  • nuclear receptor subfamily 4, group A, member 1
1 Ki 10 IC50 6 EC50
  • 1-(3,4-Dihydroxy-phenyl)-2-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
  • 1-(3,4-dihydroxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
  • 1-(3,4-dihydroxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone
  • 1-[3,4-bis(oxidanyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
  • CHEMBL358546
  • MLS000074715
  • SMR000011758
  • cid_654283
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Caspase-3
  • Caspase-7
  • Heat shock protein HSP 90-alpha
  • Human immunodeficiency virus type 1 REV
  • Multidrug resistance-associated protein 4
  • N-acylethanolamine-hydrolyzing acid amidase
  • defective in Germ Line Development family member (gld-1)
  • mRNA interferase toxin, antitoxin is MazE
10 IC50 4 EC50
  • 1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE
  • 4,5-diacetoxy-9,10-diketo-anthracene-2-carboxylic acid
  • 4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
  • 4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid
  • 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
  • MLS000028577
  • SMR000058958
  • cid_26248
  • diacetylrhein
  • Alkaline phosphatase placental-like
  • Apoptosis regulator Bcl-2
  • Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).
  • BCL-W
  • Bcl-2-related protein A1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • Isoform Bcl-X(L)
  • MPI protein
  • TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
  • TPA: Essential protein of the mitochondrial intermembrane space
  • glutathione S-transferase
4 IC50 8 EC50
  • (6-anilino-2-pyridyl)-phenyl-amine
  • 2-N,6-N-diphenylpyridine-2,6-diamine
  • MLS000534997
  • N,N'-diphenyl-2,6-pyridinediamine
  • N2,N6-diphenylpyridine-2,6-diamine
  • SMR000142433
  • cid_1311254
  • Apoptosis regulator Bcl-2
  • Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).
  • BCL-W
  • BZLF2
  • Bcl-2-related protein A1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • Isoform Bcl-X(L)
  • NS3
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • cardiac alpha tropomyosin
  • neuronal munc18-1 binding protein
8 IC50 6 EC50
  • MLS000390291
  • SMR000259554
  • cid_7125637
  • 1,3-beta-glucan synthase component GLS2
  • Bile salt export pump
  • 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
  • Voltage-gated sodium channel
1 Ki 29 IC50
  • 4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridin-3-yl)-2-Fluoro-5-Methoxy-N-(Methylsulfonyl)Benzamide
  • 4-(5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl)-2-fluoro-5-methoxy-N-(methylsulfonyl)benzamide
  • US9663508, Example 705
  • E3 ubiquitin-protein ligase XIAP/JAK1
  • E3 ubiquitin-protein ligase XIAP/JAK2
  • JAK1/TYK2
  • JAK2/TYK2
  • JAK3/JAK1
  • Non-receptor tyrosine-protein kinase TYK2
  • TEL/KDR
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • VHL/EGFR
16 IC50
  • US10463675, Example 93
  • US9663526, Example 93
  • Bcl-2-related protein A1
  • DNA dC->dU-editing enzyme APOBEC-3G
  • Group III secretory phopholipase A2
  • Hexokinase type I
  • MPI protein
  • TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
  • TPA: Essential protein of the mitochondrial intermembrane space
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • phosphomannomutase 2
  • probable DNA dC->dU-editing enzyme APOBEC-3A
  • putative hexokinase HKDC1
9 IC50 3 EC50
  • (4-chloro-2,5-dimethoxy-phenyl)-(4-chlorodithiazol-5-ylidene)amine
  • 4-chloranyl-N-(4-chloranyl-2,5-dimethoxy-phenyl)-1,2,3-dithiazol-5-imine
  • 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazolimine
  • 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)dithiazol-5-imine
  • MLS000519625
  • SMR000130043
  • cid_602897
  • Angiotensin II receptor
  • Apelin receptor
  • Apoptosis regulator Bcl-2
  • Bcl-2-related protein A1
  • DNA damage-inducible transcript 3 protein
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • MPI protein
  • XBP1
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • mRNA interferase toxin, antitoxin is MazE
  • streptokinase A precursor
10 IC50 6 EC50
  • 3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol
  • 3-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol
  • 3-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol
  • MLS000520994
  • SMR000131403
  • cid_11957180
  • Apoptosis regulator Bcl-2
  • BCL-W
  • Bcl-2-related protein A1
  • G protein signalling regulator 19
  • RGS7
  • Regulator of G-protein signaling 8
  • TCRAV4S1
  • lens epithelium-derived growth factor p75
  • regulator of G-protein signaling 4
  • regulator of G-protein signalling 16
  • serum albumin precursor
4 IC50 8 EC50
  • 3,4,5-trihydroxy-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]benzohydrazide
  • 3,4,5-trihydroxy-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
  • 3,4,5-trihydroxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
  • MLS000685625
  • N-[1-(4-nitrophenyl)ethylideneamino]-3,4,5-tris(oxidanyl)benzamide
  • SMR000312589
  • cid_4099654
  • Agp1p
  • Bcl-2-like protein 11
  • Beta lactamase
  • Bfl-1
  • DNA recombination protein RecA
  • LAP4
  • MEP2
  • Nuclear receptor ROR-alpha
  • RPL19A
  • Steroidogenic Factor 1
  • Toll-like receptor 9
8 IC50 8 EC50
  • 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetic acid ethyl ester
  • 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester
  • MLS000049112
  • SMR000074423
  • cid_1151859
  • ethyl 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate
  • ethyl 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylethanoate
  • ethyl {[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}acetate
  • DNA dC->dU-editing enzyme APOBEC-3G
  • Dual specificity protein phosphatase (VHR)
  • Gag-Pol polyprotein
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • MKP-3
  • NCOA2 protein
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • nuclear receptor coactivator 1 isoform 1
  • nuclear receptor coactivator 3 isoform a
  • probable DNA dC->dU-editing enzyme APOBEC-3A
14 IC50 3 EC50
  • 4-amino-3-(4-methylphenyl)-5-[(4-methyl-1-piperazinyl)carbonyl]-1,3-thiazole-2(3H)-thione
  • MLS000088252
  • SMR000072496
  • [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
  • [4-amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-methyl-1-piperazinyl)methanone
  • [4-amino-3-(p-tolyl)-2-thioxo-4-thiazolin-5-yl]-(4-methylpiperazino)methanone
  • [4-azanyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
  • cid_889983
  • ADRA2A
  • Adrenergic receptor alpha-1
  • Adrenergic receptor alpha-2
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • G protein-activated inward rectifier potassium channel 1
  • MPI protein
  • adrenergic Alpha2
18 Ki 4 IC50 9 EC50
  • BRIMONIDINE
  • CHEMBL844
  • MLS000069370
  • SMR000058355
  • UK 14,304
  • cid_2435
  • DNA dC->dU-editing enzyme APOBEC-3G
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • MPI protein
  • Sortase
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • hexokinase
  • large T antigen
  • phosphomannomutase 2
  • probable DNA dC->dU-editing enzyme APOBEC-3A
  • streptokinase A precursor
13 IC50 2 EC50
  • MLS000567780
  • N-(1-adamantyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide
  • N-(1-adamantyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide
  • N-(1-adamantyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
  • SMR000154301
  • cid_4875293
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • Histone acetyltransferase GCN5
  • Histone acetyltransferase p300
  • MPI protein
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • large T antigen
  • neuronal munc18-1 binding protein
  • neutrophil cytosolic factor 1
  • phosphatase, orphan 1
17 IC50 1 EC50
  • MLS000392355
  • N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine;bromide
  • SMR000261243
  • cid_12006282
  • methyl-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]amine;bromide
  • AVPR1A
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Corticotropin releasing factor receptor
  • Corticotropin releasing factor receptor 1
  • Multidrug resistance-associated protein 4
  • Vasopressin V1a receptor
  • Vasopressin V1b receptor
  • Vasopressin V2 Receptor
  • Vasopressin V2 receptor
10 Ki 6 IC50
  • CHEMBL344159
  • N-[4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide
  • TOLVAPTAN
  • benzazepine derivative, 32
  • ADRA1B
  • Adrenergic receptor alpha-2
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Cerebral cortex alpha adrenergic receptor
  • Serotonin (5-HT) receptor
  • adrenergic Alpha1
  • adrenergic Alpha2
18 Ki
4 ΔG°
  • (R)-(-)-phenylephrine
  • PHENYLEPHRINE
  • Phenylephrine,(-)
  • Beta lactamase
  • Hsf1 protein
  • I-kappa-B-alpha
  • Integrin alpha-4
  • Kappa-type opioid receptor
  • Nuclear factor NF-kappa-B
  • Nuclear receptor ROR-alpha
  • Sphingosine 1-phosphate receptor 1
  • Steroidogenic Factor 1
  • Toll-like receptor 9
  • matrix metalloproteinase 1
8 IC50 8 EC50
  • 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
  • MLS000038106
  • SMR000040050
  • cid_659101
  • Alpha trans-inducing protein (VP16)
  • BZLF1
  • COUP transcription factor 2 isoform a
  • DNA damage-inducible transcript 3 protein
  • Galanin receptor 3
  • Mu-type opioid receptor
  • Nuclear receptor ROR-alpha
  • Sphingosine 1-phosphate receptor 1
  • Sphingosine 1-phosphate receptor 2
  • Steroidogenic Factor 1
  • XBP1
12 IC50 3 EC50
  • 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
  • 4-(cyclohexylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester
  • MLS000040640
  • SMR000042884
  • cid_662276
  • ethyl 4-(cyclohexylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
  • Caspase-3
  • Integrin alpha-4
  • Kappa-type opioid receptor
  • LAP4
  • Nuclear receptor ROR-alpha
  • RPL19A
  • SUMO-1-specific protease
  • SUMO/sentrin specific peptidase family member 8
  • Sphingosine 1-phosphate receptor 1
  • Steroidogenic Factor 1
  • TPA: Essential protein of the mitochondrial intermembrane space
9 IC50 6 EC50
  • (4-methoxy-1,3-benzothiazol-2-yl)-[4-(2-pyridyl)thiazol-2-yl]amine
  • 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
  • 4-methoxy-N-[4-(2-pyridinyl)-2-thiazolyl]-1,3-benzothiazol-2-amine
  • MLS000045456
  • SMR000027216
  • cid_3240629
  • Beta lactamase
  • Focal adhesion kinase 1
  • Huntingtin
  • LANA
  • Luciferin 4-monooxygenase
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • Voltage-dependent T-type calcium channel subunit alpha-1H
  • beta-lactamase
  • dTDP-4-dehydrorhamnose 3,5-epimerase RmlC
  • matrix metalloproteinase 1
  • metallo-beta-lactamase IMP-1
12 IC50 3 EC50
  • 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzopyran-2-one
  • 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
  • 3-(1H-benzimidazol-2-yl)-7-(diethylamino)coumarin
  • MLS000106044
  • SMR000103015
  • cid_94381
  • Beta-galactosidase
  • C-C chemokine receptor type 6 (CCR6)
  • N-formyl peptide receptor 2
  • Nuclear receptor ROR-alpha
  • STAT3
  • Steroidogenic Factor 1
  • Tumor necrosis factor
  • fMet-Leu-Phe receptor
  • nucleotide-binding oligomerization domain containing 1
  • nucleotide-binding oligomerization domain containing 2
  • streptokinase A precursor
2 Ki 6 IC50 5 EC50
  • 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
  • 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-5-thiazolyl]ethanone
  • 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-thiazol-5-yl]ethanone
  • 1-{2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone
  • MLS000045468
  • SMR000027225
  • cid_3241407
  • Apoptotic peptidase activating factor 1
  • Bcl-2-like protein 11
  • Caspase-9
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Eph receptor A4
  • Hsf1 protein
  • MKP-3
  • Mitogen-activated protein kinase kinase kinase kinase 2
  • POsterior Segregation family member (pos-1)
  • streptokinase A precursor
14 IC50 6 EC50
  • MLS000038842
  • SMR000040243
  • cid_659226
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A2a and A3
  • Bcl-2-like protein 11
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Multidrug resistance-associated protein 4
  • Nuclear receptor ROR-alpha
  • Steroidogenic Factor 1
3 Ki 9 IC50 1 EC50
  • 2-CHLORO-2'-DEOXYADENOSINE
  • CLADRIBINE
  • MLS000028377
  • SMR000058553
  • cid_20279
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpi
  • C-C chemokine receptor type 1
  • C-C chemokine receptor type 5
  • C-C chemokine receptor type 8
  • Intestinal alkaline phosphatase
  • LAP4
  • Nuclear receptor ROR-alpha
  • Steroidogenic Factor 1
  • heat shock protein 90
7 IC50 12 EC50
  • 2,6-bis(2-pyridinyl)pyridine
  • 2,6-bis(2-pyridyl)pyridine
  • 2,6-dipyridin-2-ylpyridine
  • MLS000048666
  • SMR000060049
  • cid_70848
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Angiotensin II receptor
  • Apelin receptor
  • DNA recombination protein RecA
  • G2/mitotic-specific cyclin-B1
  • Kappa-type opioid receptor
  • Nuclear receptor ROR-alpha
  • Steroidogenic Factor 1
  • WEE1 homolog (S. pombe)
  • heat shock protein 90
8 IC50 8 EC50
  • 6-methyl-2-[3-methyl-5-(4-methylanilino)-1-pyrazolyl]-1H-pyrimidin-4-one
  • 6-methyl-2-[3-methyl-5-(4-methylanilino)pyrazol-1-yl]-1H-pyrimidin-4-one
  • 6-methyl-2-[3-methyl-5-(p-toluidino)pyrazol-1-yl]-1H-pyrimidin-4-one
  • 6-methyl-2-[3-methyl-5-[(4-methylphenyl)amino]pyrazol-1-yl]-1H-pyrimidin-4-one
  • MLS000036000
  • SMR000062535
  • cid_2408467
  • Bile salt export pump
  • CHRM4
  • Cholinergic, muscarinic
  • Genome polyprotein
  • Muscarinic acetylcholine receptor
  • Muscarinic acetylcholine receptor DM1
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
117 Ki 91 IC50 1 Kd
  • 11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride
  • 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride
  • 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride
  • 11-[2-(4-methylpiperazino)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride
  • CHEMBL9967
  • MLS000069702
  • PIRENZEPINE
  • PIRENZEPINE DIHYDROCHLORIDE
  • SMR000058502
  • cid_185248
  • Cereblon/Histone deacetylase 6
  • HDAC3/NCOR2
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 4 (HDAC4) (aa 627-1085)
  • Histone deacetylase 5
  • Histone deacetylase 7 (HDAC7) (aa 518-592)
  • Histone deacetylase 8
  • Histone deacetylase 9 (aa 604-1066)
11 IC50
  • (N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)methyl)benzamide)
  • US10011611, RBC-3001-A
  • Estradiol receptor beta (ERβ)
  • Focal adhesion kinase 1
  • Hsf1 protein
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • TCRAV4S1
  • Voltage-gated calcium channel subunit alpha Cav2.2
  • core protein
  • large T antigen
  • neuronal munc18-1 binding protein
  • serum albumin precursor
12 IC50 1 EC50
  • 5,6-bis(2-furanyl)-4-furo[2,3-d]pyrimidinamine
  • 5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-amine
  • MLS000107834
  • SMR000103798
  • [5,6-bis(2-furyl)furo[2,3-d]pyrimidin-4-yl]amine
  • cid_704725
  • Apoptotic peptidase activating factor 1
  • Caspase-9
  • DNA damage-inducible transcript 3 protein
  • Focal adhesion kinase 1
  • MSRA protein
  • PPP5C protein
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • XBP1
  • neutrophil cytosolic factor 1
  • protein phosphatase 1, catalytic subunit, alpha isoform 3
  • streptokinase A precursor
12 IC50 1 EC50
  • (NE)-N-[3-(5-chloro-2-methyl-anilino)-4-keto-1-naphthylidene]thiophene-2-sulfonamide
  • (NE)-N-[3-(5-chloro-2-methylanilino)-4-oxo-1-naphthalenylidene]-2-thiophenesulfonamide
  • (NE)-N-[3-(5-chloro-2-methylanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
  • (NE)-N-[3-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]thiophene-2-sulfonamide
  • MLS000535841
  • SMR000151319
  • cid_11834461
  • Apoptotic peptidase activating factor 1
  • Beta-galactosidase
  • C-C chemokine receptor type 6 (CCR6)
  • Caspase-9
  • DNA damage-inducible transcript 3 protein
  • G-protein coupled receptor 55
  • Hsf1 protein
  • Serine/threonine-protein kinase PLK1
  • TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
  • TPA: Essential protein of the mitochondrial intermembrane space
  • XBP1
12 IC50 3 EC50
  • (NE)-N-[3-(2,4-dimethylanilino)-4-keto-1-naphthylidene]thiophene-2-sulfonamide
  • (NE)-N-[3-(2,4-dimethylanilino)-4-oxo-1-naphthalenylidene]-2-thiophenesulfonamide
  • (NE)-N-[3-(2,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
  • (NE)-N-[3-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]thiophene-2-sulfonamide
  • MLS000549894
  • N-(3-(2,4-dimethylanilino)-4-oxo-1(4H)-naphthalenylidene)-2-thiophenesulfonamide
  • SMR000113727
  • cid_9549688
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