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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
8 Ki 11 IC50
  • Acetylcholinesterase
  • Carboxylic ester hydrolase
  • Cholinesterases
  • (+)-Huperzine A
  • (+/-)Huperzine A
  • (-)-Huperzine A
  • (13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
  • (1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
  • (1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
  • (5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one
  • Huperzine A
1 Ki 18 IC50
  • Anthrax Lethal Factor (LF)
  • DNA (cytosine-5)-methyltransferase 1
  • DNA (cytosine-5)-methyltransferase 1 (DNMT1)
  • DNA (cytosine-5)-methyltransferase 3-like
  • DNA (cytosine-5)-methyltransferase 3B
  • DNMT3B-DNMT3L complex
  • Genome polyprotein
  • HTH-type transcriptional regulator mgrA (MgrA)
  • Human immunodeficiency virus type 1 integrase
  • Protein-tyrosine phosphatase 1B
  • 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
  • CHEMBL115145
  • MgrA inhibitor, 1
  • chemical diversity library compound 4
8 Ki 11 IC50
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Fibroblast growth factor receptor 1
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP1 subtype (EP1)
  • Prostaglandin E2 receptor EP2 subtype
  • Prostaglandin E2 receptor EP4 subtype
  • Prostanoid EP4 receptor
  • US8933098, 1
  • US8933099, 1
18 IC50 1 EC50
  • Geranylgeranyl Transferase (GGTase-I)
  • Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)
  • P-glycoprotein 1
  • Protein Farnesyltransferase (PFT)
  • Protein Farnesyltransferase (PFT) Chain B
  • Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit
  • Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit
  • geranylgeranyltransferase type-I
  • (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(R)-yl)-1-piperidin-yl]-2-oxo-ethyl]-1-piperidinecarboxamide
  • 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide
  • CHEMBL298734
  • Lonafarnib
  • SCH 66336
  • Sarasar
18 Ki 1 Kd
  • Nitric Oxide Synthase, brain Mutant (D597N)
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, inducible
  • Nitric oxide synthase (bsNOS)
  • Nitric oxide synthase mutant (nNOS M336V/D597N)
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • Nitric-oxide synthase, endothelial
  • 4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amino}pyridin-3-yl)ethyl]pyridin-2-amine (14)
  • US10759791, Compound 5
  • US9951014, Name 14b
  • nNOS inhibitor, 2
1 Ki 18 IC50
  • Acyl coenzyme A:cholesterol acyltransferase
  • Anandamide amidohydrolase
  • Arylacetamide deacetylase
  • Carboxylesterase 2
  • EBifunctional epoxide hydrolase 2
  • Epoxide hydratase
  • Epoxide hydrolase 1
  • Epoxide hydrolase 2
  • Fatty-acid amide hydrolase 1
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serum paraoxonase/arylesterase 1
  • Serum paraoxonase/arylesterase 2
  • Serum paraoxonase/lactonase 3
  • US9029401, 1728 (t-TUCB)
19 IC50
  • Caspase-1
  • Caspase-3
  • Caspase-5
  • Caspase-7
  • Caspase-9
  • US10167313, Compound 48
  • US9045524, 48
2 Ki 15 IC50
0 ΔG°
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Intestinal alkaline phosphatase
  • Intestinal alkaline phosphatase (IAP)
  • L-type amino acid transporter 1
  • Large neutral amino acids transporter small subunit 1
  • Phospholipase A-2-activating protein
  • Tissue non-specific alkaline phosphatase (TNAP)
  • Voltage-gated calcium channel alpha2/delta subunit 1
  • X-linked inhibitor of apoptosis protein (XIAP)
  • (2S)-2-amino-3-phenylpropanoic acid
  • CHEMBL301523
  • L-[2,3,4,5,6-3H]phenylalanine
  • L-phenylalanine
  • Phenylalanine
7 Ki 6 IC50
0 ΔG°
  • Aldehyde oxidase (AO)
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 3 (CA III)
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Cytochrome P450 19A1
  • Dipeptidyl peptidase IV
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Transcriptional Regulator TtgR
  • Transcriptional Regulator TtgR Mutant R176G
  • Transcriptional Regulator TtgR-DNA
  • Urease subunit beta
  • α-CA inhibitor, 5
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • CHEMBL32571
  • Naringenin
  • Naringenin (NAR)
  • naringetol
  • salipurpol
15 Ki 4 IC50
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
  • (2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S)-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide
  • Azepan-3-one compound 1
  • CHEMBL286364
9 Ki 7 IC50 3 EC50
  • Transient receptor potential cation channel subfamily V member 1
  • Vanilloid receptor
  • 3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea
  • CHEMBL388824
  • JYL1421
  • thiourea analogue, 2
6 IC50 13 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 3A
  • HCV NS3-NS4A Serine Proteinase
  • Hepatitis C virus NS5B RNA-dependent RNA polymerase
  • L-type calcium channel alpha-1c/beta-2/alpha2delta-1
  • NS3 serine protease (NS3)
  • Nuclear receptor subfamily 1 group I member 2
  • Sodium channel protein type 5 subunit alpha
  • US9243002, 82
6 IC50 13 EC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 3A
  • HCV NS3-NS4A Serine Proteinase
  • Hepatitis C virus NS5B RNA-dependent RNA polymerase
  • L-type calcium channel alpha-1c/beta-2/alpha2delta-1
  • NS3 serine protease (NS3)
  • Nuclear receptor subfamily 1 group I member 2
  • Sodium channel protein type 5 subunit alpha
  • US9243002, 85
16 IC50 2 Kd 1 EC50
  • Cytochrome P450 3A
  • Mitogen-activated protein kinase 14
  • Mixed lineage kinase 7
  • TGF-beta receptor type II
  • TGF-beta receptor type-1
  • TGF-beta receptor type-1 T204D
  • Tyrosine-protein kinase ABL2
  • 4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline
  • CHEMBL261454
  • LY364947
  • US9138393, LY-364947
  • US9144538, LY-364947
16 Ki 3 EC50
  • HRH3
  • Histamine H2 Receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • 4-(1H-imidazol-4-ylmethyl)piperidine
  • 4-(1H-imidazol-5-ylmethyl)piperidine
  • IMMEPIP
  • Immepip
7 Ki 10 IC50 1 Kd 0 Other
  • Acetylcholinesterase
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Carbon monoxide dehydrogenase (CODH)
  • Carboxylesterase 1
  • Caspase-1
  • Cholinesterases
  • DNA dC->dU-editing enzyme APOBEC-3G
  • Dihydroorotate dehydrogenase
  • Dihydroorotate dehydrogenase (quinone), mitochondrial
  • Dual specificity phosphatase Cdc25B
  • Dual specificity protein phosphatase 1
  • Factor XIIa
  • Indoleamine 2,3-dioxygenase
  • MDM2-MDMX
  • MKP-3
  • 1,4-Benzoquinone
  • Benzil-related compound, 53
  • CHEMBL8320
  • benzoquinone
  • cid_4650
  • cyclohexa-2,5-diene-1,4-dione
4 Ki 15 IC50
  • Cytochrome P450 2J2
  • Histamine H1 receptor
  • Histamine H4 receptor
  • Potassium voltage-gated channel subfamily H member 2
  • 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
  • 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid
  • Allegra
  • CHEMBL914
  • Fexofenadine
  • MDL-16455
5 Ki 14 IC50
  • 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
  • Oxalamic acid
  • Oxamate
  • Oxamate, 3
  • Oxamidic Acid
  • carbamoylformic acid
5 Ki 12 IC50 1 Kd 0 Other
  • 3C-like proteinase (3CL-PRO)
  • Acetylcholinesterase
  • Alpha-glucosidase MAL62
  • Axin-1/Glycogen synthase kinase-3 beta
  • Butyrylcholinesterase (BChE)
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 1B1
  • Dipeptidyl peptidase 4
  • Lysine-specific histone demethylase 1A
  • Mitogen-activated protein kinase 14
  • alpha-Amylase
  • (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • Hesperetin
  • Hesperitin
19 EC50
  • Serine protease NS3-NS5B
  • Serine protease NS3/RNA-directed RNA polymerase NS5B (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, 9
  • US9433609, 9
19 EC50
  • Serine protease NS3-NS5B
  • Serine protease NS3/RNA-directed RNA polymerase NS5B (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, 13
  • US9433609, 13
19 EC50
  • Serine protease NS3-NS5B
  • Serine protease NS3/RNA-directed RNA polymerase NS5B (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, 16
  • US9433609, 16
13 IC50 6 Kd
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 142 (CYP142)
  • Cytochrome P450 144 (CYP144)
  • Cytochrome P450 144 (CYP144A1-TRV)
  • Cytochrome P450 1A1
  • Cytochrome P450 2B1
  • Cytochrome P450 3A
  • Indoleamine 2,3-dioxygenase
  • Lanosterol 14-alpha demethylase
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • 4-PIM
  • 4-Phenylimidazole
  • 4-phenyl-1H-imidazole
  • 4-phenylimidazole, 4-PI
  • CHEMBL14145
  • US9138393, 4-Phenyl- imidazole
  • US9144538, 4-Phenylimidazole
19 IC50
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • 5-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-1-yl}-N- isopropylpyrazine-2- carboxamide
  • US10053465, 15
  • US10053465, 17
  • US10065963, Compound 15
  • US10125150, Example 15
  • US10336759, # 15
  • US10479803, Example 15
  • US10513522, Example 18
  • US10675284, Example 15
  • US9611269, Example 18
  • US9732097, Example 15
19 IC50
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • 4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-1-yl}-2,5- difluoro-N-[(1S)- 2,2,2-trifluoro-1- methylethyl] benzamide
  • US10053465, 16
  • US10065963, Compound 16
  • US10125150, Example 16
  • US10336759, # 16
  • US10479803, Example 16
  • US10519163, Example 16
  • US10675284, Example 16
  • US9611269, Example 28
  • US9732097, Example 16
19 IC50
  • Epidermal growth factor receptor
  • Tyrosine-protein kinase BTK
  • US10005782, Compound 33b
  • US9447106, 33
  • US9556188, Compound 33
19 IC50
  • Epidermal growth factor receptor
  • Tyrosine-protein kinase BTK
  • US10005782, Compound 134b
  • US9447106, 134
  • US9556188, Compound 134b
19 IC50
  • CDK2/Cyclin E/G1/S-specific cyclin E2
  • Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
  • 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 gamma isoform
  • Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
  • Protein kinase C alpha type
  • Vascular endothelial growth factor receptor 2
  • p110α/p85α
  • 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
  • 3-[4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
  • CHEMBL541643
  • thieno[3,2-d]pyrimidine derivative, 1
  • thienopyrimidine derivative, 1
5 Ki 14 IC50
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 118
  • US10150765, Example 118
  • US10703749, Example 118
  • US9464084, 118
5 Ki 14 IC50
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 212
  • US10150765, Example 212
  • US10703749, Example 212
  • US9464084, 212
5 Ki 14 IC50
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 288
  • US10150765, Example 288
  • US10703749, Example 288
  • US9464084, 288
2 Ki 15 IC50 2 EC50
  • Leucine-rich repeat serine/threonine-protein kinase 2
  • Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)
  • Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)
  • Leucine-rich repeat serine/threonine-protein kinase 2 G2019S
  • US9499542, 12
  • US9675594, 12
9 Ki 4 IC50 6 Kd
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Serotonin 1B/1D receptor
  • Sodium channel protein type I I alpha subunit
  • 1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
  • ICI 118,551
  • ICI 118551
1 IC50 18 Kd
  • Cytoplasmic tyrosine-protein kinase BMX
  • Ephrin receptor
  • Ephrin type-A receptor 1 (EPHA1)
  • Ephrin type-A receptor 2
  • Ephrin type-A receptor 3 (EPHA3)
  • Ephrin type-B receptor 2
  • Ephrin type-B receptor 3 (EPHB3)
  • Lck
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase TXK
  • Tyrosine-protein kinase Yes
  • Tyrosine-protein kinase receptor TYRO3
  • Uncharacterized aarF domain-containing protein kinase 4
  • 2,4-dianilino pyrimidine, 2
  • 3-({4-[(5-hydroxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
  • CHEMBL249097
19 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-[5-[(3-chloro-4- methylphenyl)methoxy]pyrazol-1- yl]pyridine-4-carboxylic acid
  • US10173996, Example 92
  • US9604961, Example 92
  • US9714230, 92
  • US9714230, 93
  • US9908865, Example 92
19 IC50
  • Lysine-specific demethylase 2B
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5B
  • 2-[5-[[4-chloro-2- (cyclopropylmethoxy(phenyl] methoxy]pyrazol-1-yl]pyridine- 4-carboxylic acid
  • US10173996, Example 106
  • US9604961, Example 106
  • US9714230, 106
  • US9908865, Example 106
19 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytoplasmic tyrosine-protein kinase BMX
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor protein-tyrosine kinase erbB-4
  • SRC
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase FRK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • Tyrosine-protein kinase Yes
  • 4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
  • US9718828, Example, 551
19 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Cytoplasmic tyrosine-protein kinase BMX
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor protein-tyrosine kinase erbB-4
  • SRC
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase FRK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • Tyrosine-protein kinase Yes
  • 4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]azepan-3-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
  • US9718828, Example, 575
18 IC50 1 EC50
  • 5-hydroxytryptamine receptor 4 (5-HT4)
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpi
  • Beta lactamase
  • Collagenase 3
  • Cyclooxygenase
  • Gag-Pol polyprotein
  • Genome polyprotein
  • Intestinal alkaline phosphatase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
  • TPA: Essential protein of the mitochondrial intermembrane space
  • Toll-like receptor 9
  • hypothetical protein SA1422
  • perilipin-1
  • perilipin-5
  • (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
  • (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
  • (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
  • CHEMBL140
  • CURCUMIN
  • Curcurmin
  • Diferuloylmethane
  • MLS000069631
  • Natural yellow 3
  • SMR000058237
  • Turmeric yellow
  • cid_969516
16 IC50 3 EC50
  • 5-hydroxytryptamine receptor 1A
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Heat shock protein HSP 90-alpha
  • MKP-3
  • Mitogen-activated protein kinase 10
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 1
  • Sphingosine 1-phosphate receptor 2
  • Sphingosine 1-phosphate receptor 3
  • (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
  • (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ethanoate
  • Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester
  • MLS000077136
  • SMR000008576
  • acetic acid (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ester
  • acetic acid (6-acetamido-7-acetoxy-benzofurazan-4-yl) ester
  • cid_597363
1 Ki 14 IC50 4 Kd
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • D-Amino Acid Oxidase (DAAO)
  • D-Aspartate Oxidase (DDO)
  • D-amino-acid oxidase
  • D-aspartate oxidase
  • Potassium voltage-gated channel subfamily H member 2
  • Serine racemase
  • 4H-furo[3,2-b]pyrrole-5-carboxylic acid
  • 5-carboxyfuro[3,2-b]pyrrole, 1
  • CHEMBL492591
19 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • (R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azabicyclo[2.2.1]heptan-2-yl)methanone
  • US9611262, Example 165
  • US9611262, Example 198
  • US9611262, Example 22
  • US9611262, Example 22B
  • US9611262, Example 3
  • US9611262, Example 3A
  • US9611262, Example 3B
19 IC50
  • PKC alpha and beta-2
  • Protein kinase C (PKC)
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Protein kinase C, epsilon
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • cAMP-Dependent Protein Kinase (PKA)
  • cAMP-dependent protein kinase (PKA)
  • 2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]bicyclo[2.2.1]heptan-2-yl}oxy)carbonyl]phenyl}carbonyl)-3-hydroxybenzoic acid
  • Balanol analog 20
  • Balanol analog 21
19 IC50
  • PKC alpha and beta-2
  • Protein kinase C (PKC)
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Protein kinase C, epsilon
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • cAMP-Dependent Protein Kinase (PKA)
  • cAMP-dependent protein kinase (PKA)
  • 2-{[2,6-dihydroxy-4-({[(8R,9R)-9-[(4-hydroxybenzene)amido]tricyclo[5.2.1.0^{2,6}]decan-8-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
  • Balanol analog 26
  • CHEMBL263910
2 Ki 15 IC50 2 EC50
  • Dual specificity protein phosphatase (VHR)
  • Eukaryotic translation initiation factor 4H
  • Focal adhesion kinase 1
  • Heat Shock 70kDa Protein 1
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Integrin alpha-4
  • N-formyl peptide receptor 2
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • STAT3
  • Transcription Factor STAT1
  • fMet-Leu-Phe receptor
  • heat shock 70kDa protein 8 isoform 1
  • insulin-degrading enzyme isoform 1 precursor
  • poly(A) binding protein, cytoplasmic 1
  • (4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amine
  • 4-methoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazol-2-amine
  • MLS000045458
  • N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
  • SMR000027218
  • cid_3236395
19 IC50
  • CaM-kinase kinase beta
  • Dual specificity protein kinase CLK1/CLK4
  • Dual specificity protein kinase CLK2
  • Dual specificity protein kinase TTK
  • Dual specificity tyrosine-phosphorylation-regulated kinase 1B
  • Dual specificty protein kinase CLK1
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Dual-specificity tyrosine-phosphorylation regulated kinase 3
  • Melanin-concentrating hormone receptor 2/HERG
  • Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma
  • Phosphorylase kinase
  • c-Jun N-terminal kinase, JNK
  • 4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6-yl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide
  • US9623028, Compound 38
19 IC50
  • Bcl-2-like protein 1
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Dual specificity protein phosphatase (VHR)
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • MKP-3
  • nuclear receptor subfamily 4, group A, member 1
  • 3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine
  • 3-benzylsulfanyl-5,6-bis(furan-2-yl)-1,2,4-triazine
  • 5,6-bis(2-furanyl)-3-(phenylmethylthio)-1,2,4-triazine
  • 5,6-bis(furan-2-yl)-3-(phenylmethylsulfanyl)-1,2,4-triazine
  • MLS-0029114.0001
  • cid_2940938
19 IC50
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Glyceraldehyde-3-phosphate dehydrogenase liver
  • Heat Shock 70kDa Protein 1
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • MKP-3
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • large T antigen
  • 8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
  • MLS-0067149.0001
  • cid_646096
19 IC50
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Heat shock protein HSP 90-alpha
  • MKP-3
  • 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminoindene-1,3-dione
  • 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminoindene-1,3-dione
  • 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]indene-1,3-dione
  • 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]indane-1,3-quinone
  • MLS000105950
  • SMR000102924
  • cid_767530
14 IC50 5 EC50
  • 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
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • MKP-3
  • SUMO1 activating enzyme subunit 1
  • nuclear receptor subfamily 4, group A, member 1
  • ubiquitin-conjugating enzyme E2I
  • 2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxamide
  • 2,3-bis(2-furyl)-N-phenyl-quinoxaline-6-carboxamide
  • 2,3-bis(furan-2-yl)-N-phenyl-quinoxaline-6-carboxamide
  • 2,3-bis(furan-2-yl)-N-phenylquinoxaline-6-carboxamide
  • 2,3-di-2-furyl-N-phenyl-6-quinoxalinecarboxamide
  • MLS000050204
  • SMR000077343
  • cid_2213073
4 Ki 3 IC50 12 EC50
  • BCL-W
  • Bcl-2-related protein A1
  • G protein signalling regulator 19
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • MPI protein
  • NS3
  • RGS7
  • Regulator of G-protein signaling 8
  • regulator of G-protein signaling 4
  • regulator of G-protein signalling 16
  • 3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide
  • 3-[[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide
  • 3-[[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
  • 3-[[[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide
  • 3-[[[(Z)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide
  • MLS000336733
  • SMR000244048
  • cid_6263555
19 IC50
  • Cyclin-dependent kinase 4
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • Insulin receptor
  • Mitogen-activated protein kinase; ERK1/ERK2
  • PDGFR-beta/Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Protein kinase C (PKC)
  • Proto-oncogene tyrosine-protein kinase Src
  • 1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
  • 6-arylpyrido[2,3-d]pyrimidine deriv. 1
  • CHEMBL57366
  • PD089828
1 Ki 18 IC50
  • Cyclin-dependent kinase 4
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Insulin receptor
  • Mitogen-activated protein kinase; ERK1/ERK2
  • PDGFR-beta/Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Protein kinase C (PKC)
  • Proto-oncogene tyrosine-protein kinase Src
  • 1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
  • 6-arylpyrido[2,3-d]pyrimidine deriv. 25
  • CHEMBL299763
  • PD 166866
  • PD166866
17 IC50 2 EC50
  • Apoptotic peptidase activating factor 1
  • Caspase-3
  • Caspase-9
  • DNA recombination protein RecA
  • Dual Specificity Protein Phosphatase 1
  • Intestinal alkaline phosphatase
  • MKP-3
  • SUMO-1-specific protease
  • SUMO/sentrin specific peptidase family member 8
  • SUMO1 activating enzyme subunit 1
  • mothers against decapentaplegic homolog 3
  • ubiquitin-conjugating enzyme E2I
  • (7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine
  • 7-chloranyl-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
  • 7-chloro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-4-amine
  • 7-chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
  • MLS000042514
  • SMR000048561
  • cid_667215
4 Ki 12 IC50 3 EC50
  • Bile salt export pump
  • Cytochrome P450 2C9
  • Enoyl-[acyl-carrier-protein] reductase [NADH]
  • G-protein coupled receptor 35
  • Human immunodeficiency virus type 1 integrase
  • NAD(P)H dehydrogenase [quinone] 1
  • Subtilisin/kexin type 7
  • Urease
  • 3,3''''-methylenebis(4-hydroxy-coumarin
  • 3,3''''-methylenebis(4-hydroxycoumarin)
  • 3,3''''-methylenebis[4-hydroxycoumarin
  • 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one
  • Bishydroxycoumarin
  • CHEMBL1466
  • DICUMAROL
  • dicoumarol
  • symmetric dicoumarol analogue, 1
19 IC50
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDK2/CycE
  • Cytoplasmic tyrosine-protein kinase BMX
  • Inhibitor of nuclear factor kappa-B kinase subunit epsilon
  • Interleukin-1 receptor-associated kinase 1
  • Interleukin-1 receptor-associated kinase 4
  • Non-receptor tyrosine-protein kinase TYK2
  • Nuclear receptor subfamily 2 group C member 2
  • Serine/threonine-protein kinase TBK1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • 5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine
  • US10214511, Example 1
19 IC50
  • B-RAF V600E
  • Cytoplasmic tyrosine-protein kinase BMX
  • Discoidin domain-containing receptor 2
  • Ephrin receptor
  • Epithelial discoidin domain-containing receptor 1
  • Platelet-derived growth factor receptor
  • Proto-oncogene tyrosine-protein kinase Src (T341M)
  • Proto-oncogene tyrosine-protein kinase Src (aa 1-530)
  • RAF proto-oncogene serine/threonine-protein kinase
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase B-raf
  • TAK1/TAB1
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase Yes
  • Vascular endothelial growth factor receptor 2
  • US10266537, Compound 31
19 IC50
  • 1,3-beta-glucan synthase component GLS2
  • IDH1 R132C
  • IDH1 R132H
  • Isocitrate dehydrogenase 2 (IDH2)
  • Isocitrate dehydrogenase [NADP] cytoplasmic
  • US10280150, Cmpd No I-36
  • US10550099, Compound I-156
16 IC50 3 EC50
  • Apoptotic peptidase activating factor 1
  • Caspase-9
  • DNA recombination protein RecA
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Focal adhesion kinase 1
  • MKP-3
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • PTK2B protein tyrosine kinase 2 beta (PTK2B)
  • SUMO/sentrin specific peptidase family member 8
  • 2-(2-phenylethyl)-4H-isoquinoline-1,3-dione
  • 2-phenethyl-4H-isoquinoline-1,3-quinone
  • MLS000119149
  • SMR000096084
  • cid_713096
7 IC50 12 EC50
  • 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
  • 2,6-bis(2-pyridinyl)pyridine
  • 2,6-bis(2-pyridyl)pyridine
  • 2,6-dipyridin-2-ylpyridine
  • MLS000048666
  • SMR000060049
  • cid_70848
14 IC50 2 Kd 3 EC50
  • E3 ubiquitin-protein ligase Mdm2
  • Fatty-acid amide hydrolase 1
  • Gamma-butyrobetaine dioxygenase
  • Histone-lysine N-methyltransferase EHMT1
  • Lysyl oxidase
  • Lysyl oxidase homolog 2
  • Lysyl oxidase homolog 3
  • Lysyl oxidase homolog 4
  • Monoglyceride lipase
  • Protein G9a (G9a)
  • Tyrosine-protein kinase JAK2
  • MLS000069752
  • N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester
  • N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester
  • SMR000059023
  • TETRAMETHYLTHIURAM DISULFIDE
  • cid_5455
  • dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
9 IC50 10 EC50
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpi
  • Intestinal alkaline phosphatase
  • MPI protein
  • exonuclease V (RecBCD complex), alpha chain
  • mRNA interferase toxin, antitoxin is MazE
  • (3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindole
  • (3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enyl-2-indolone
  • (3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enyl-indol-2-one
  • (3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
  • ML087
  • MLS-0075347.0001
  • cid_25199559
16 IC50 3 EC50
  • Apoptotic peptidase activating factor 1
  • Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Hsf1 protein
  • envelope glycoprotein
  • tyrosine-protein phosphatase non-receptor type 12 isoform 2
  • 3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid
  • 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid
  • 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid
  • 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
  • MLS-0334991.0001
  • cid_1516220
14 IC50 5 EC50
  • Apoptotic peptidase activating factor 1
  • Caspase-9
  • DNA damage-inducible transcript 3 protein
  • POsterior Segregation family member (pos-1)
  • Phospholipase A2
  • RecName: Full=Zinc finger protein mex-5
  • Serine/threonine-protein kinase 33
  • XBP1
  • cysteine protease ATG4B isoform a
  • eukaryotic translation initiation factor 4 gamma, 1 isoform 4
  • neutrophil cytosolic factor 1
  • streptokinase A precursor
  • ubiquitin-conjugating enzyme E2 N
  • 1-cetyl-3-methyl-imidazol-3-ium;bromide
  • 1-hexadecyl-3-methyl-imidazol-3-ium;bromide
  • 1-hexadecyl-3-methylimidazol-3-ium;bromide
  • 3-hexadecyl-1-methyl-1H-imidazol-3-ium
  • MLS000720114
  • SMR000304643
  • cid_2846928
16 IC50 3 Kd
  • Prostanoid TP receptor
  • Thromboxane A2 Synthase (P450 TxA2)
  • Thromboxane A2 receptor
  • Thromboxane-A synthase
  • 5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-meth-(E)-ylideneaminooxy]-pentanoic acid
  • 5-[Pyridin-3-yl-(3-trifluoromethyl-phenyl)-methyleneaminooxy]-pentanoic acid
  • CHEMBL280728
  • R-68070
  • ridogrel
14 Ki 2 IC50 3 EC50
  • GRIA3
  • GRM7
  • GRM8
  • Glucosamine-6- Phosphate Synthase
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 4 (mGluR4)
  • Metabotropic glutamate receptor 5
  • Metabotropic glutamate receptor 6
  • Metabotropic glutamate receptor 6 (mGlu6)
  • Metabotropic glutamate receptor 8 (mGlu8)
  • 2-Amino-4-phosphono-butyric acid
  • 2-Amino-4-phosphono-butyric acid (AP4)
  • 4-Amino Phosphonobutyrate
  • CHEMBL285843
  • GlcN-6-P synthase inhibitor, 1 (racemic mixture)
  • L-AP4
15 Ki 1 IC50 3 EC50
  • 5-hydroxytryptamine receptor 2A
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(4) dopamine receptor
  • Nuclear receptor subfamily 1 group I member 2
  • (6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol
  • (6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
  • 11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol
  • CHEMBL298406
  • Ecopipam
  • SCH 39166
  • trans-(-) 11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol
15 Ki 2 IC50 2 EC50
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • adrenergic Alpha2
  • 3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Cl-APB)
  • CHEMBL35354
  • CHEMBL544115
  • RS(+/-)-6-Cl-APB3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
  • SKF 82958
10 Ki 5 IC50 4 EC50
  • Muscarinic acetylcholine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M5
  • CHEMBL23957
  • OXO-M
  • Trimethyl-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-ammonium; iodide
17 Ki 2 IC50
  • Butyrylcholinesterase (BChE)
  • CHRM4
  • Muscarinic acetylcholine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M2 and M4
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Pancreatic alpha-amylase
  • 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester
  • 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester(Aprophen)
  • 2-(diethylamino)ethyl 2,2-diphenylpropanoate
  • Aprofene
  • Aprophen
  • CHEMBL26505
6 Ki 11 IC50 2 Kd
  • Arachidonate 5-lipoxygenase
  • Bile salt export pump
  • Cysteinyl leukotriene receptor
  • Cysteinyl leukotriene receptor 1
  • Phosphodiesterase 1
  • Thromboxane A2 Synthase (P450 TxA2)
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-4H-chromene-2-carboxylic acid(FPL 55,712)
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid (FPL55712)
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FPL 55712)
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FPL-55712)
  • 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid;FPL-55,712
  • CHEMBL267475
13 Ki 4 IC50 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • (+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
  • (-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
  • (4aR,10aR)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
  • (Racemic)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
  • (trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol (PD 128907)
  • 1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
  • CHEMBL70565
  • PD 128,907
8 Ki 9 IC50 2 EC50
  • 5-hydroxytryptamine receptor 2A (5HT2A)
  • Anti-estrogen binding site (AEBS)
  • C-8 sterol isomerase
  • D(2) dopamine receptor
  • Dopamine receptor
  • Mu-type opioid receptor
  • Prolylcarboxypeptidase (PRCP)
  • Sigma non-opioid intracellular receptor 1
  • (+)-3-(1-Propyl-piperidin-3-yl)-phenol
  • 3-((R)-1-Propyl-piperidin-3-yl)-phenol
  • 3-(1-Propyl-piperidin-3-yl)-phenol
  • 3PPP,(-)
  • CHEMBL7393
  • cid_202478
15 IC50 4 Kd
  • Rap guanine nucleotide exchange factor 3
  • Rap guanine nucleotide exchange factor 4
  • Serum albumin
  • CHEMBL3260990
13 Ki 5 IC50 1 EC50
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Neuronal acetylcholine receptor Alpha-3/Beta-4
  • Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
  • Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit
  • Neuronal acetylcholine receptor protein alpha-7 subunit
  • Neuronal acetylcholine receptor subunit beta-2
  • Nicotinic acetylcholine receptor alpha-4/beta-2
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline; hydrobromide (o-methylcorypalline)
  • CHEMBL555787
8 Ki 2 IC50 9 EC50
  • GRIA1
  • GRIA2
  • GRIA3
  • GRIK1
  • Glutamate receptor 1
  • Glutamate receptor ionotropic AMPA
  • Glutamate receptor ionotropic, AMPA
  • Glutamate receptor ionotropic, AMPA 2
  • Glutamate receptor ionotropic, AMPA 4
  • Glutamate receptor ionotropic, kainate
  • Glutamate receptor ionotropic, kainate 2
  • Metabotropic glutamate receptor 1
  • NMDA receptor subunit 2C (GluN2C)
  • (R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)propionic acid
  • 2-Amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)-propionic acid
  • CHEMBL73698
19 Kd
  • Acidic fibroblast growth factor
  • Bone morphogenetic protein 2
  • Bone morphogenetic protein 4
  • Bone morphogenetic protein 6
  • C-C motif chemokine 2
  • C-C motif chemokine 5
  • C-X-C motif chemokine 2
  • Chemokine CXCL12
  • Eotaxin
  • Fibroblast growth factor 2
  • Fibroblast growth factor 4
  • Fibroblast growth factor 7
  • Interferon gamma
  • Platelet factor 4
  • Proheparin-binding EGF-like growth factor
  • Protein Wnt-3a
  • Secreted frizzled-related protein 1
  • Sonic hedgehog protein
  • Vascular endothelial growth factor A
  • CHEMBL3288260
19 Kd
  • Acidic fibroblast growth factor
  • Bone morphogenetic protein 2
  • Bone morphogenetic protein 4
  • Bone morphogenetic protein 6
  • C-C motif chemokine 2
  • C-C motif chemokine 5
  • C-X-C motif chemokine 2
  • Chemokine CXCL12
  • Eotaxin
  • Fibroblast growth factor 2
  • Fibroblast growth factor 4
  • Fibroblast growth factor 7
  • Interferon gamma
  • Platelet factor 4
  • Proheparin-binding EGF-like growth factor
  • Protein Wnt-3a
  • Secreted frizzled-related protein 1
  • Sonic hedgehog protein
  • Vascular endothelial growth factor A
  • CHEMBL3288258
19 IC50
  • Dihydrofolate reductase
  • Dihydroorotate Dehydrogenase (DHODH)
  • Dihydroorotate dehydrogenase
  • Dihydroorotate dehydrogenase (quinone), mitochondrial
  • Aubagio
  • CHEBI:68540
  • HMR-1726
  • TERIFLUNOMIDE
19 Ki
  • PTGER3
  • PTGFR
  • Prostaglandin D Synthase
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP1 subtype (EP1)
  • Prostaglandin E2 receptor EP2 subtype
  • Prostaglandin E2 receptor EP4 subtype
  • Prostaglandin F2-alpha receptor
  • Prostaglandin Transporter
  • Prostanoid IP receptor
  • Prostanoid TP receptor
  • Thromboxane Alpha
  • (Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
  • 7-[6-(3-Hydroxy-oct-1-enyl)-2-oxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
  • CHEMBL73010
  • U-46619
  • U46619
15 Ki 3 IC50 1 EC50
  • ADRA1B
  • Adrenergic receptor alpha-2
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Bile salt export pump
  • Cerebral cortex alpha adrenergic receptor
  • adrenergic Alpha1
  • adrenergic Alpha2
  • 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol
  • 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol (methoxamine)
  • 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol(Methoxamine)
  • CHEMBL524
  • METHOXAMINE
  • Vasoxyl
19 IC50
  • Arachidonate 15-lipoxygenase, type II
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Folate receptor alpha
  • Folate receptor beta
  • Folate transporter 1
  • Multidrug resistance-associated protein 4
  • Proton-coupled folate transporter
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • CHEBI:5847
  • RALTITREXED
  • Raltitrexed
  • Tomudex
  • US9422297, Raltitrexed
  • ZD-16
  • ZD-1694
1 Ki 17 IC50 1 Kd
  • 6-phospho-1-fructokinase
  • Bacterial dihydropteroate synthase
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Dihydrofolate Reductase (DHFR)
  • EDNRA
  • Endothelin receptor
  • Human immunodeficiency virus type 1 protease
  • Multidrug resistance-associated protein 4
  • exonuclease V (RecBCD complex), alpha chain
  • protein-arginine deiminase type-4
  • 4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
  • 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide
  • ACETYLSULFAMETHOXAZOLE
  • BACTRIM
  • CHEMBL443
  • COTRIM
  • GANTANOL
  • GANTANOL-DS
  • RO 4-2130
  • SEPTRA
  • SULFAMETHOPRIM
  • SULFAMETHOPRIM-DS
  • SULFAMETHOXAZOLE SODIUM
  • SULFATRIM
  • SULFATRIM-DS
  • SULFATRIM-SS
  • SULMEPRIM
  • SULPHAMETHOXAZOLE
  • TRIMETH/SULFA
  • UROBAK
8 Ki 8 IC50 3 EC50
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • CHEMBL3354073
8 Ki 11 IC50
  • ADRA1B
  • Acetylcholinesterase
  • Adrenergic Alpha
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Bile salt export pump
  • Calcium channel (Type L)
  • Cerebral cortex alpha adrenergic receptor
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium channel protein type 5 subunit alpha
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Voltage-gated potassium channel subunit Kv4.3
  • ALFUZOSIN
  • CHEMBL709
  • N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}tetrahydrofuran-2-carboxamide
1 Ki 18 IC50
  • 5-hydroxytryptamine receptor 1A
  • Cerebral cortex alpha adrenergic receptor
  • D(2) dopamine receptor
  • DRD1
  • Serotonin 1B/1D receptor
  • Serotonin 2a (5-HT2a) receptor
  • adrenergic Alpha2
  • (5-Methoxy-chroman-3-yl)-dipropyl-amine
  • CHEMBL283606
9 IC50 10 EC50
  • Adenosine receptor A3
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Potassium voltage-gated channel subfamily H member 2
  • Sphingosine 1-phosphate receptor 1
  • Sphingosine 1-phosphate receptor 1 (S1P1)
  • Sphingosine 1-phosphate receptor 2
  • Sphingosine 1-phosphate receptor 3
  • Sphingosine 1-phosphate receptor 4
  • Sphingosine 1-phosphate receptor 5
  • Sphingosine-1-phosphate receptor 1
  • CHEMBL3358920
19 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 5A
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • ((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
  • (+)-(5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
  • (1S,2R)-(5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
  • (5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
  • CHEMBL278751
  • UH-232
8 Ki 11 IC50
  • 5α-Reductase 1 (5α-R1)
  • Steroid 5-alpha-reductase
  • (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
  • 17-tert-Butylcarbamoyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
  • CHEMBL138225
  • Epristeride
5 Ki 14 IC50
  • Acetylcholinesterase
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Butyrylcholinesterase (BuChE)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • GluN1/GluN2B NMDA receptor
  • Glutamate receptor ionotropic, NMDA 1
  • Multidrug resistance-associated protein 4
  • NMDA receptor subtype 2A protein (NR2A)
  • NR1/NR2A
  • Sigma non-opioid intracellular receptor 1
  • Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
  • 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone
  • 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine)
  • CHEMBL742
  • KETAMINE
  • Ketalar
6 Ki 9 IC50 4 EC50
  • 10 kDa chaperonin
  • 60 kDa chaperonin
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Glycine receptor subunit alpha-1
  • HSP60/HSP10
  • Multidrug resistance-associated protein 4
  • Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta
  • Retinoic acid receptor RXR-alpha/gamma
  • Retinoic acid receptor alpha/Retinoid X receptor alpha
  • Retinoid X receptor gamma/retinoic acid receptor alpha
  • Retinoid receptor
  • Thiosulfate sulfurtransferase
  • 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid
  • 6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
  • ADAPALENE
  • CHEMBL1265
18 IC50 1 EC50
  • Cereblon/Histone deacetylase 1
  • Cereblon/Histone deacetylase 2
  • Cereblon/Histone deacetylase 4
  • Cereblon/Histone deacetylase 6
  • Histone Deacetylase (pfHDAC-1)
  • Histone deacetylase
  • Histone deacetylase 1
  • Histone deacetylase 6
  • Human immunodeficiency virus type 1 Tat protein
  • PAK 1/CDC42
  • Serine/threonine-protein kinase PAK 1
  • CHEMBL3310505
7 Ki 11 IC50 1 Kd
  • 72 kDa type IV collagenase
  • Adenosine receptor A3
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Collagenase 3
  • Glycogen phosphorylase, muscle form
  • Lymphocyte differentiation antigen CD38
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-9
  • P-glycoprotein (P-gp)
  • Stromelysin-1
  • Tyrosine-protein kinase receptor FLT3
  • Urease subunit beta
  • Xanthine dehydrogenase/oxidase
  • (+/-) taxifolin
  • (+/-)-Dihydroquercetin
  • (+/-)-taxifolin
  • (2R,3R)-2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
  • 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
  • 3,5,7,3',4'-pentahydroxyflavanone
  • CHEMBL337309
  • NSC-2801
19 Ki
  • GABA A receptor alpha-6/beta-2/gamma-2
  • GABA receptor alpha-1/beta-3/gamma-2 subunit
  • GABA receptor alpha-2/beta-2/gamma-2 subunit
  • GABA receptor alpha-2/beta-3/gamma-2 subunit
  • GABA receptor alpha-3/beta-2/gamma-2 subunit
  • GABA receptor alpha-3/beta-3/gamma-2 subunit
  • GABA receptor alpha-4/beta-3/gamma-2 subunit
  • GABA receptor alpha-5/beta-3/gamma-2 subunit
  • GABA receptor alpha-6/beta-3/gamma-2 subunit
  • GABA-A receptor; alpha-1/beta-2/gamma-2
  • 5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester
  • CHEMBL59181
17 IC50 2 Kd
  • DNA (cytosine-5)-methyltransferase 1 (DNMT1)
  • Histone-lysine N-methyltransferase EHMT1
  • Histone-lysine N-methyltransferase SETDB1
  • Histone-lysine N-methyltransferase SUV39H2 (Suv39H2)
  • Histone-lysine N-methyltransferase, H3 lysine-79 specific
  • Myeloid/lymphoid or mixed-lineage leukemia (MLL)
  • Protein G9a (G9a)
  • Protein arginine N-methyltransferase 5
  • Protein arginine methyltransferase 3 (PRMT3)
  • Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)
  • Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2)
  • Protein-arginine N-methyltransferase 1
  • SET and MYND domain-containing protein 2 (SMYD2)
  • SET domain-containing protein 7/9 (Set7/9)
  • SET domain-containing protein 8 (SetD8)
  • CHEMBL3318285
1 Ki 18 IC50
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Fibroblast activation protein (FAP)
  • Prolyl endopeptidase
  • (S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)butan-1-one
  • 4-Phenyl-1-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-butan-1-one
  • 4-Phenyl-1-[2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-butan-1-one
  • CHEMBL289651
  • SUAM-1221
10 Ki 9 EC50
  • GRIA3
  • GRM7
  • GRM8
  • Metabotropic glutamate receptor
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 3
  • Metabotropic glutamate receptor 4 (mGlu4)
  • Metabotropic glutamate receptor 4 (mGluR4)
  • Metabotropic glutamate receptor 5
  • Metabotropic glutamate receptor 6
  • Metabotropic glutamate receptor 6 (mGlu6)
  • (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
  • (2R,4R)-APDC
  • 2R, 4R-APDC
  • CHEMBL40086
13 Ki 3 IC50 3 EC50
  • 20S proteasome
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • Cruzipain
  • Fatty-acid amide hydrolase 1
  • Liver fatty acid binding protein (FABP1)
  • Transient receptor potential cation channel subfamily V member 1
  • Vanilloid receptor
  • streptokinase A precursor
  • (5Z,8Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide
  • (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide
  • (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
  • (8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide
  • AM-404
  • AM404
  • CHEMBL39878
  • Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide
  • N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide
  • N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
  • cid_6604822
18 Ki 1 IC50
  • Cannabinoid receptor
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • Potassium channel protein TASK-1
  • (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((R)-2-hydroxy-1-methyl-ethyl)-amide
  • (R)-Methanandamide
  • CHEMBL120526
  • Methanandamide
17 Ki 2 EC50
  • 5-hydroxytryptamine receptor 4 (5-HT4)
  • HTR3A
  • HTR4
  • Serotonin (5-HT) receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • 3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
  • BIMU 8
  • CHEMBL59834
3 Ki 16 IC50
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Opioid receptors; mu & delta
  • 4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide
  • 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide
  • 4-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide
  • CHEMBL153648
19 IC50
  • Human immunodeficiency virus type 1 integrase
  • Integrase
  • TCRAV4S1
  • serum albumin precursor
  • 2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydrazide
  • 2-hydroxybenzoic acid 2-(2-hydroxybenzoyl)hydrazide
  • CHEMBL36303
  • cid_65303
19 Ki
  • PKC alpha and beta-2
  • Protein kinase C alpha type
  • Protein kinase C delta
  • Protein kinase C delta type
  • Protein kinase C, epsilon
  • Protein kinase C, gamma
  • RAS guanyl releasing protein 1
  • (2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4]diazocin-3-one
  • 8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4]diazocin-3-one
  • CHEMBL6453
19 Ki
  • PKC alpha and beta-2
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Protein kinase C theta type
  • Protein kinase C, PKC; classical/novel
  • Protein kinase C, epsilon
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • (2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4]diazocin-3-one
  • CHEMBL28205
13 Ki 6 IC50
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • CHEMBL3323011
  • US9598387, Compound 113
  • US9969743, 113
15 IC50 4 Kd
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • MAP kinase p38
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase 9
  • Non-receptor tyrosine-protein kinase TYK2
  • Platelet-derived growth factor subunit B (PDGFB)
  • Potassium voltage-gated channel subfamily H member 2
  • c-Jun N-terminal kinase 3
  • CHEMBL2144409
19 Ki
  • 5-hydroxytryptamine receptor 1A (5HT1A)
  • Adrenergic receptor alpha-1
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • 1-benzyl-4-(3-hydroxyphenyl)piperazine
  • 3-(4-Benzyl-piperazin-1-yl)-phenol
  • CHEMBL88365
17 Ki 2 IC50
  • BRS3
  • Bombesin 4
  • GRPR
  • Gastrin releasing peptide receptor
  • Gastrin-Releasing peptide
  • NMB
  • NMBR
  • Neuromedin B receptor
  • (S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
  • CHEMBL86828
  • NMB
  • Xenopus NMB
19 Ki
  • Coagulation factor X
  • Prothrombin
  • Trypsin-1
  • CHEMBL139063
  • CHEMBL279628
  • [3-(3-Carbamimidoyl-phenyl)-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA
2 Ki 15 IC50 2 EC50
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Potassium voltage-gated channel subfamily H member 2
  • Progesterone receptor
  • CHEMBL195515
  • GW7604
6 Ki 13 EC50
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor delta
  • Peroxisome proliferator-activated receptor gamma
  • (S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyridin-2-yl-amino)-ethoxy]-phenyl}-propionic acid
  • (S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)phenyl)propanoic acid
  • 2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyridin-2-yl-amino)-ethoxy]-phenyl}-propionic acid
  • CHEMBL434063
18 IC50 1 EC50
  • 3',5'-cyclic phosphodiesterase
  • Phosphodiesterase 3
  • Phosphodiesterase 4
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4D
  • 4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic acid
  • 4-[8-(3-Nitro-phenyl)-[1,7]naphthyridin-6-yl]-benzoic acid
  • 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
  • CHEMBL74078
1 Ki 18 IC50
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytidine deaminase (CDA)
  • Deoxynucleoside kinase
  • Enoyl-[acyl-carrier-protein] reductase [NADH]
  • MDM2-MDMX
  • Multidrug resistance-associated protein 4
  • Nuclear receptor coactivator 1
  • Thymidine kinase
  • Thymidine kinase, cytosolic
  • Thymidine kinase, mitochondrial
  • nuclear receptor coactivator 3 isoform a
  • 1-beta-D-Arabinofuranosylcytosine
  • 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone
  • 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one
  • CHEMBL803
  • CYTARABINE
18 Ki 1 IC50
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • HTR6
  • 4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-benzenesulfonamide
  • 4-Amino-N-(2,6-bis-methylamino-pyrimidin-4-yl)-benzenesulfonamide
  • 4-Amino-N-(2-methylamino-pyrimidin-4-yl)-benzenesulfonamide
  • 4-amino-N-(2,6-bis(methylamino)pyrimidin-4-yl)benzenesulfonamide
  • CHEMBL433461
  • N-(2,6-bis(methylamino)pyrimidin-4-yl)-4-aminobenzenesulfonamide
  • Ro 04-6790
  • Ro-04-6790
12 Ki 7 IC50
  • Adenosine Kinase (AK)
  • Adenosine Receptors A2a (A2a)
  • Adenosine kinase
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2a and A3
  • Adenosine receptor A3
  • Adenosylhomocysteinase
  • S-adenosylmethionine decarboxylase 1
  • (2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol
  • 2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol
  • 5'-amino-5'-deoxyadenosine
  • CHEMBL302376
19 IC50
  • ALK tyrosine kinase receptor
  • BDNF/NT-3 growth factors receptor
  • Cytoplasmic tyrosine-protein kinase BMX
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • Hepatocyte growth factor receptor
  • High affinity nerve growth factor receptor
  • Insulin receptor
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • NT-3 growth factor receptor
  • Proto-oncogene tyrosine-protein kinase ROS
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase receptor FLT3
  • Tyrosine-protein kinase receptor Tie-1
  • Vascular endothelial growth factor receptor 2
  • CHEMBL3582439
18 Ki 1 IC50
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea
  • 1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
  • CHEMBL330286
18 Ki 1 IC50
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
  • 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea
  • CHEMBL329791
2 Ki 16 IC50 1 Kd
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Complement C5
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Fatty-acid amide hydrolase 1
  • Multidrug resistance-associated protein 4
  • Prostaglandin G/H synthase (cyclooxygenase)
  • (+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid
  • 2-(6-Chloro-9H-carbazol-2-yl)-propionic acid
  • 2-(6-Chloro-9H-carbazol-2-yl)-propionic acid(carprofen)
  • 2-(6-chloro-9H-carbazol-2-yl)propanoic acid
  • CARPROFEN
  • CHEMBL1316
  • Rimadyl
  • Ro-20-5720/000
17 IC50 2 EC50
  • Activin receptor type-1
  • Cytoplasmic tyrosine-protein kinase BMX
  • LIM domain kinase 1
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine kinase non-receptor protein 2
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase FRK
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase TEC
  • CHEMBL3586447
14 Ki 5 EC50
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor Alpha-2/Beta-4
  • Neuronal acetylcholine receptor Alpha-3/Beta-2
  • Neuronal acetylcholine receptor Alpha-3/Beta-4
  • Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit
  • Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
  • Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit
  • 2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
  • 2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane
  • CHEMBL56817
11 Ki 8 IC50
  • Prostaglandin E receptor 4
  • Prostaglandin E2 receptor
  • Prostaglandin E2 receptor EP4 subtype
  • Prostaglandin F2-alpha receptor
  • Prostanoid EP4 receptor
  • Prostanoid IP receptor
  • Thromboxane A2 receptor
  • AAT-007
  • CJ-023
  • GRAPIPRANT
  • Grapiprant
  • MR-10A7
  • RQ-00000007
  • RQ-7
6 Ki 4 IC50 9 EC50
  • Androgen Receptor
  • Glucocorticoid
  • Glucocorticoid receptor
  • Progesterone receptor
  • (+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
  • (+/-)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
  • (-)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
  • 5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
  • 5-allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline
  • CHEMBL266282
19 Ki
  • Carbonic Anhydrase III
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 15
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-amide
  • CHEMBL108971
11 Ki 8 IC50
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate reductase
  • 5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-diamine
  • 5-(4-Benzyloxy-3-methoxy-benzyl)-pyrimidine-2,4-diamine
  • CHEMBL22146
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