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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
2 Ki 42 IC50
0 ΔG°
  • Aldehyde reductase
  • Aldo-keto reductase family 1 member C21
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase
  • Aldose reductase (ALR2)
  • Aldose reductase (AR)
  • Bile salt export pump
  • 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid
  • Alredase
  • CHEMBL436
  • N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
  • Tolrestat
11 Ki 16 IC50 5 Kd 11 EC50 1 Koff 1 Kon
  • 2'-deoxynucleoside 5'-phosphate N-hydrolase 1
  • 5'-AMP-activated protein kinase Complex 1
  • ADORA3
  • AMPK alpha2/beta1/gamma1
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenylate kinase 1
  • Adenylate kinase 2
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cholecystokinin
  • Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)
  • Fructose-1,6-bisphosphatase
  • Fructose-1,6-bisphosphatase 1 (FBPase)
  • Human immunodeficiency virus type 1 protease
  • Inosine-5'-monophosphate dehydrogenase
  • Ketopantoate reductase
  • Mitogen-activated protein kinase kinase kinase 7
  • P2Y purinoceptor 1
  • Phospholipase C, gamma 1
  • Phospholipase C-beta-3
  • Proto-oncogene tyrosine-protein kinase Src
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y2
  • Transient receptor potential cation channel subfamily M member 2
  • tRNA synthetase (GlyRS)
  • AMP
  • CHEMBL752
  • [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;hydrate
  • adenosine 5 -monophosphate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
45 IC50
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD12 or PARP12)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD15 or PARP16)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)
  • Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)
  • Human diphtheria toxin-like ADP-ribosyltransferase (L928Y) (ARTD10 or PARP10(L928Y))
  • Human diphtheria toxin-like ADP-ribosyltransferase (R931A) (ARTD10 or PARP10(R931A)
  • Human diphtheria toxin-like ADP-ribosyltransferase (S927A) (ARTD10 or PARP10(S927A))
  • Human diphtheria toxin-like ADP-ribosyltransferase (Y1660L) (ARTD8 or PARP14(Y1660L))
  • Human diphtheria toxin-like ADP-ribosyltransferase (Y598L) (ARTD7 or PARP15 (Y598L))
  • Mono [ADP-ribose] polymerase PARP16
  • Poly [ADP-ribose] polymerase 1
  • Poly [ADP-ribose] polymerase 10
  • Poly [ADP-ribose] polymerase 11
  • Poly [ADP-ribose] polymerase 12
  • Poly [ADP-ribose] polymerase 14
  • Poly [ADP-ribose] polymerase 15
  • Poly [ADP-ribose] polymerase 2
  • Poly [ADP-ribose] polymerase 4
  • Poly [ADP-ribose] polymerase tankyrase-1
  • Poly [ADP-ribose] polymerase tankyrase-2
  • Protein mono-ADP-ribosyltransferase PARP3
  • 4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carboxamide (OUL35)
3 IC50 42 EC50
  • Bile acid receptor
  • Bile acid receptor FXR
  • Bile salt export pump
  • G-protein coupled bile acid receptor 1
  • Vitamin D3 receptor
  • (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
  • CDCA
  • CHENODIOL
  • Chenodeoxycholic Acid
  • US10208081, CDCA
25 Ki 16 IC50 3 Kd 1 EC50
  • 5-hydroxytryptamine receptor 1A
  • Bile salt export pump
  • HRH3
  • Histamine H1 receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Potassium voltage-gated channel subfamily H member 2
  • 3H]pyrilamine
  • CHEMBL511
  • Dorantamin
  • MEPYRAMINE
  • Mepyramine
  • N-(4-methoxybenzyl)-N ,N -dimethyl-N-pyridin-2-ylethane-1,2-diamine
  • N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
  • PYRILAMINE
  • Pyranisamine
  • [3H]mepyramine
  • [3H]pyrilamine
8 Ki 35 IC50 1 Kd 0 Other
  • 12-Lipoxygenase (12-LOX)
  • 3C-like proteinase (3CL-PRO)
  • Aldehyde dehydrogenase, mitochondrial
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase
  • Alpha-glucosidase MAL62
  • Arachidonate 15-lipoxygenase
  • Beta-glucuronidase
  • Beta-glucuronidase (EcGUS)
  • Calcium channel
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Cytochrome P450 19A1
  • Epidermal growth factor receptor
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • Estrogen receptor beta
  • Fatty acid synthase
  • Neuraminidase
  • Proteasome subunit beta type-1/beta type-5
  • Tyrosinase
  • Urease subunit beta
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Xanthine dehydrogenase/oxidase
  • alpha-Amylase
  • 7,4′-Dihydroxy-isoflavone (3a)
  • 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
  • CHEMBL8145
  • Daidzein
  • US8552057, 7
43 Ki
0 ΔG°
  • Alpha carbonic anhydrase
  • Astrosclerin-3
  • Carbonic Anhydrase VA
  • 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
  • Gamma-carbonic anhydrase
  • CHEMBL1644028
  • SCN(-1)
  • Thiocyanate
  • cyanosulfanide
  • sodium thiocyanate
  • thiocyanate
38 IC50 2 Kd 5 EC50
  • 5-hydroxytryptamine receptor 1A
  • Cathepsin B
  • Cathepsin S
  • Dual Specificity Protein Phosphatase 1
  • Dual specificity phosphatase Cdc25B
  • Heat shock factor protein 1
  • Heat shock protein HSP 90-alpha
  • Heat shock protein HSP 90-beta
  • Lipoamide Dehydrogenase (Lpd)
  • MKP-3
  • Nuclear receptor ROR-alpha
  • Procathepsin L
  • Pyruvate dehydrogenase (PDH)
  • Serotonin (5-HT) receptor
  • Sphingosine 1-phosphate receptor 1
  • Sphingosine 1-phosphate receptor 3
  • Steroidogenic Factor 1
  • diphosphomevalonate decarboxylase
  • mevalonate kinase
  • 1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • 1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone
  • 1-ethyl-6-methyl-3-thiophen-2-yl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • 1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • MLS000033110
  • SMR000008918
  • US9073941, 610
  • cid_653297
42 Ki 3 IC50
  • 5-HT3A Serotonin Receptor
  • 5-HT5
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2B (5HT2B)
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • HTR1D
  • HTR6
  • HTR7
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • 2-Me 5-HT
  • 2-Methyl-5-hydroxytryptamine
  • 2-methyl-5-HT
  • 2-methylserotonin
  • 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
  • 5-HT,2-Me
  • CHEMBL266591
5 Ki 8 IC50 4 Kd 28 EC50
  • Cytochrome CYP26A1
  • Cytochrome P450 3A
  • Nuclear receptor ROR-gamma (RORC)
  • Retinoic acid receptor RXR-alpha
  • 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
  • (E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid
  • 4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid
  • 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
  • 4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
  • 4-[(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]benzoic acid
  • 4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
  • CHEMBL275311
  • US9963439, TTNPB
10 Ki 35 IC50
  • Acyl-protein thioesterase 1/2
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Fibroblast activation protein (FAP)
  • Fibroblast activation protein alpha
  • Prolyl endopeptidase
  • (R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-ylboronic acid
  • (S)-2-Amino-1-((R)-2-dihydroxyboron-pyrrolidin-1-yl)-3-methyl-butan-1-one
  • (S)-2-Amino-3-methyl-2-boronic acid-1-pyrrolidin-1-yl-butan-1-one
  • Boronic acid derivative
  • CHEMBL67279
  • Ketopyrrolidine derivative
  • Pyrrolidine derivative
35 Ki 4 IC50 4 Kd 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 7
  • ADRA1B
  • Adrenergic alpha1B
  • Adrenergic receptor alpha-2
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1 adrenergic receptor
  • Alpha-1A adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Cerebral cortex alpha adrenergic receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • (R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide
  • 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide
  • 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide
  • CHEMBL836
  • TAMSULOSIN
8 Ki 34 IC50 3 EC50
  • Bile acid transporter
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 2
  • EDNRA
  • EDNRB
  • Endothelin receptor ET-A
  • Endothelin receptor, ET-A/ET-B
  • Endothelin-1 receptor
  • Multidrug resistance-associated protein 4
  • Nuclear receptor subfamily 1 group I member 2
  • 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide
  • 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide
  • BOSENTAN
  • CHEMBL957
  • p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
2 Ki 43 IC50
  • Cytochrome P450 2C18
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2J2
  • Sterol 14α-demethylase (CYP51)
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Uridine-5'-diphosphoglucuronosyltransferase 1A4
  • Uridine-5'-diphosphoglucuronosyltransferase 1A6
  • Uridine-5'-diphosphoglucuronosyltransferase 2B10
  • Uridine-5'-diphosphoglucuronosyltransferase 2B7
  • 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
  • 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
  • CHEMBL1109
  • SULFAPHENAZOLE
  • Sulfabid
  • Sulphaphenazole
  • US9180183, Sulfaphenazole
1 Ki 5 IC50 5 Kd 33 EC50
0 ΔG°
  • Bile acid receptor
  • Homo sapiens huntingtin (HTT), mRNA
  • Intestinal fatty acid-binding protein (hIFABP)
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor delta
  • Peroxisome proliferator-activated receptor gamma
  • Pre-mRNA-processing factor 19
  • Ubiquitin carboxyl-terminal hydrolase 1
  • Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48
  • 2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)ethyl)phenylthio)-2-methylpropanoic acid
  • 2-(4-{2-[3-Cyclohexyl-1-(4-cyclohexyl-butyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
  • CHEMBL21241
  • GW7647
  • cid_3392731
6 Ki 38 IC50 1 EC50
  • Acetylcholinesterase
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Calcium channel (Type L)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterase
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 4
  • Myosin light chain kinase, smooth muscle
  • Potassium channel subfamily K member 2
  • Sodium channel protein type I I alpha subunit
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • Voltage-dependent L-type calcium channel subunit alpha-1C
  • Voltage-dependent L-type calcium channel subunit alpha-1F
  • Voltage-dependent L-type calcium channel subunit alpha-1S
  • Voltage-gated L-type calcium channel
  • Voltage-gated potassium channel subfamily A member 1/beta-1
  • Adalat
  • Adalat Cc
  • Afeditab Cr
  • BAY-A-1040
  • CHEBI:7565
  • NIFEDIPINE
  • Nifedipine
  • Procardia
  • Procardia Xl
30 Ki 8 IC50 3 Kd 4 EC50
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 3A
  • Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain
  • Cholinergic, Nicotinic Alpha3Beta2
  • D(2) dopamine receptor
  • HTR3A
  • HTR4
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor Alpha-4/Beta-2
  • Neuronal acetylcholine receptor protein alpha-7 subunit
  • Neuronal acetylcholine receptor; alpha3/beta4
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 3 receptor (5HT3)
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor
  • (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE
  • CHEMBL56564
33 Kd 6 Koff 6 Kon
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Carbonic anhydrases; II & IX
  • 3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (3a)
  • CHEMBL3799296
  • carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3
45 IC50
  • 3-phosphoinositide dependent protein kinase-1
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDK2/Cyclin A/Cyclin A1
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 4
  • Dual specificity mitogen-activated protein kinase kinase 6
  • Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)
  • Dual-specificity tyrosine-phosphorylation regulated kinase 2
  • Epidermal growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • MAP kinase-activated protein kinase 2
  • MAP kinase-activated protein kinase 5
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 3
  • Mitogen-activated protein kinase 8
  • Mitogen-activated protein kinase 9
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Rho-associated protein kinase 2
  • Ribosomal protein S6 kinase 2/S6K1
  • Ribosomal protein S6 kinase alpha 5
  • Ribosomal protein S6 kinase alpha-3
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase Sgk1
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-3
  • Tyrosine-protein kinase Blk
  • c-Jun N-terminal kinase 3
  • 2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin-3-yl)ethylamino)pyrimidin-4-yl)acetonitrile
  • AS-601245
  • AS601245
  • CHEMBL1788116
  • CHEMBL191384
  • [3H-Benzothiazol-(2Z)-ylidene]-[2-(2-pyridin-3-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile
43 IC50 2 Kd
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 8/9
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)
  • Dipeptidyl peptidase IV
  • Dipeptidyl peptidase VIII
  • Dipeptidyl peptidase-IV (DDP-4)
  • Fibroblast activation protein (FAP)
  • Fibroblast activation protein alpha
  • Lysosomal phospholipase A1
  • Muscarinic acetylcholine receptor M1
  • POU domain, class 2, transcription factor 1
  • POU domain, class 2, transcription factor 2
  • Potassium voltage-gated channel subfamily H member 2
  • Prolyl endopeptidase
  • Solute carrier family 22 member 8
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
  • (R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
  • 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
  • CHEMBL237500
  • LINAGLIPTIN
  • US10202383, Example 2(142)
  • US10358449, Linagliptin
  • US9255098, Linagliptin
  • US9321791, 2(142)
  • US9556175, 2(142)
7 Ki 38 IC50
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, inducible
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid
  • (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate
  • (R)-2-Amino-5-(N'-methyl-guanidino)-pentanoic acid
  • (S)-2-Amino-5-(N'-methyl-guanidino)-pentanoic acid
  • (S)-2-amino-5-(2-methylguanidino)pentanoic acid
  • (S)-2-amino-5-(3-methylguanidino)pentanoic acid
  • 2-Amino-5-(N'-methyl-guanidino)-pentanoic acid
  • CHEMBL256147
  • L-NMMA
  • N omega-methyl-L-arginine
  • N(G)-mono-methyl-L-arginine
  • N(G)-monomethyl-L-arginine
  • N-Monomethyl-L-arginine
  • N-gamma-monomethyl-L-arginine
  • NG-Monomethyl-L-Arginine
  • NG-monomethyl-L-arginine acetate
  • Ngamma-monomethyl-L-arginine
  • Targinine
4 Ki 41 IC50
  • Cereblon/Histone deacetylase 6
  • Coagulation factor VII/tissue factor
  • Histone deacetylase
  • Histone deacetylase 1
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
  • Histone deacetylase 4
  • Histone deacetylase 8
  • Histone deacetylase-like amidohydrolase
  • (6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone
  • CHEMBL430060
  • ChEMBL_275631
29 Ki 8 IC50 6 Kd 2 EC50
  • Cholinergic, muscarinic
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Muscarinic receptor 4
  • 3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.0*2,4*]non-7-yl ester
  • 7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane
  • CHEMBL376897
  • METHSCOPOLAMINE
  • Methyl scopolamine
  • N-METHYLSCOPOLAMINE
3 Ki 40 IC50 2 EC50
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 6
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • Nuclear receptor corepressor 1
  • FK-228
  • Istodax
  • ROMIDEPSIN
11 Ki 32 IC50 1 Kd 1 EC50
  • Adrenaline alpha1
  • Adrenaline alpha2
  • Adrenergic Alpha
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cystic fibrosis transmembrane conductance regulator
  • Cytochrome P450 2D1
  • Cytochrome P450 2D18
  • Cytochrome P450 2D2
  • Cytochrome P450 2D3
  • Cytochrome P450 2D6
  • Cytochrome P450 2D6 (2D6)
  • Histidine-rich protein
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 4
  • P-glycoprotein 1
  • Serum albumin
  • Sodium channel protein type I I alpha subunit
  • Solute carrier family 22 member 1
  • Solute carrier family 22 member 2
  • Solute carrier organic anion transporter family member 1A1
  • Solute carrier organic anion transporter family member 1A4
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • QUININE
  • Quinamm
  • Quinsan
  • cid_3034034
2 Ki 43 IC50
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Cyclin-dependent kinase 9
  • Cytochrome P450 3A
  • Fibroblast growth factor receptor 1
  • Glycogen synthase kinase-3
  • Insulin-like growth factor I receptor
  • Macrophage colony-stimulating factor 1 receptor (CSF1R)
  • Mast/stem cell growth factor receptor Kit
  • Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Potassium voltage-gated channel subfamily H member 2
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Rho-associated protein kinase 1
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • ABT-348
  • ILORASERTIB
  • US8722890, 1
  • US8722890, 2
45 IC50
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cyclin-dependent kinase 2
  • Dual specificity mitogen-activated protein kinase kinase 2
  • Dual specificity mitogen-activated protein kinase kinase 6
  • Dual specificity mitogen-activated protein kinase kinase; MEK1/2
  • Ephrin receptor
  • Ephrin type-B receptor 4
  • Fibroblast growth factor receptor 3
  • Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • MAP kinase-activated protein kinase 5
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 14
  • Non-receptor tyrosine-protein kinase TYK2
  • Protein kinase N1
  • Protein kinase N2
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Receptor tyrosine-protein kinase erbB-2
  • Rho-associated protein kinase 2
  • Serine/threonine-protein kinase receptor R3
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • Tyrosine-protein kinase receptor UFO
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • cAMP-dependent protein kinase (PKA)
  • CHEMBL2012519
  • L-783277
42 Ki 2 IC50 1 Kd
  • 5-hydroxytryptamine receptor 7
  • ADRA1A
  • ADRA1B
  • ADRA2A
  • Alpha adrenergic receptor 1A and 1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • Beta-adrenergic receptor kinase 1
  • Cerebral cortex alpha adrenergic receptor
  • D(2) dopamine receptor
  • DRD1
  • Norepinephrine transporter
  • Serotonin (5-HT) receptor
  • Sodium-dependent noradrenaline transporter
  • Steroidogenic Factor 1
  • adrenergic Alpha1
  • adrenergic Alpha2
  • nuclear receptor subfamily 0 group B member 1
  • 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
  • 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol, 1
  • 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
  • 4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol;hydrochloride
  • 4-[2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol;hydrochloride
  • DL-ADRENALINE HYDROCHLORIDE
  • EPINEPHRINE
  • EPINEPHRINE,(+)
  • MLS001333244
  • SMR000058236
  • cid_5924
45 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Calcium channel
  • Cannabinoid receptor 1
  • Cholinergic, Nicotinic Alpha3Beta2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • Dopamine receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Glutamate receptor ionotropic, NMDA 1
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 receptor
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor subunit alpha-4
  • Neuronal acetylcholine receptor; alpha2/beta2
  • OPRD1
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • CAS_134505
  • L-homocysteine thiolactone
  • NSC_134505
45 Ki
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Calcium channel
  • Cannabinoid receptor 1
  • Cholinergic, Nicotinic Alpha3Beta2
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • Dopamine receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Glutamate receptor ionotropic, NMDA 1
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 receptor
  • Imidazoline I1
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Neuronal acetylcholine receptor
  • Neuronal acetylcholine receptor subunit alpha-4
  • Neuronal acetylcholine receptor; alpha2/beta2
  • OPRD1
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • D-homocysteine thiolactone