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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
3 Ki 41 IC50 2 Kd 8 EC50
  • 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
  • Acid-sensing ion channel 5
  • Aldo-keto reductase family 1 member C1
  • Aldo-keto reductase family 1 member C2
  • Aldo-keto reductase family 1 member C4 (AK1C4)
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldo-keto-reductase family 1 member C3
  • Aldose reductase (AR)
  • Androgen Receptor
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Cytochrome c oxidase subunit 2
  • Intestinal fatty acid-binding protein (hIFABP)
  • Myeloperoxidase (MPO)
  • Potassium channel subfamily K member 18
  • Prostaglandin G/H synthase (cyclooxygenase)
  • Transcription factor SOX-18 (SOX-18)
  • Transcriptional enhancer factor TEF-3
  • Transient receptor potential cation channel subfamily A member 1
  • Transthyretin
  • Twik-RElated Potassium (K+) channel 1 (TREK1)
  • 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
  • Arlef
  • CHEMBL23588
  • Flufenamic acid
  • Nichisedan
  • US9271961, Flufenamic Acid
50 Ki 2 IC50 1 Kd 1 EC50
  • Alpha-2A adrenergic receptor
  • Alpha-2C adrenergic receptor
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Serotonin (5-HT) receptor
  • CLOBENPROPIT
  • Clobenpropit
  • N''-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide
  • VUF 9153
  • VUF-9153
  • VUF9153
47 Ki 5 IC50 2 Kd
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • Alpha-1A adrenergic receptor
  • Beta-2 adrenergic receptor
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD2
  • Dopamine receptor
  • Histamine H1 receptor
  • Muscarinic acetylcholine receptor M2
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • adrenergic Alpha2
  • (S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)methyl)-6-hydroxy-2-methoxybenzamide
  • 3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide
  • 3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
  • 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
  • 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide (etichlopride)
  • 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride)
  • 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
  • CHEMBL8946
  • ETICLOPRIDE
  • ETICLOPRIDE,S(-)
  • Eticlopride;3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
51 Ki 3 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2B
  • ADRA2C
  • Adrenergic receptor alpha-2
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • D(2) dopamine receptor
  • HTR1A
  • Nuclear receptor subfamily 1 group I member 2
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • adrenergic Alpha2
  • 8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
  • CHEMBL300555
  • Spiroxatrine
3 Ki 51 IC50
  • ADC-14 protein
  • ADC-16 protein
  • ADC-18 protein
  • Bacterial beta-lactamase TEM
  • Beta-lactamase
  • Beta-lactamase (SHV-1)
  • Beta-lactamase (TEM-1)
  • Beta-lactamase 1
  • Beta-lactamase ACC-4
  • Beta-lactamase AmpC
  • Beta-lactamase BRO-1
  • Beta-lactamase GES-13
  • Beta-lactamase SCO-1
  • Beta-lactamase SHV-11
  • Beta-lactamase type II
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Carbapenem-hydrolizing beta-lactamase SFC-1
  • Class A carbapenemase KPC-2
  • Class D β-lactamase (OXA-1)
  • Class D beta-lactamase
  • Extended-spectrum beta-lactamase PER-6
  • Multidrug resistance-associated protein 4
  • SHV-1 beta-lactamase
  • (2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • (S)-3,3-Dimethyl-7-(R)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (Sulbactam)
  • CHEMBL403
  • CP-45,899
  • SULBACTAM
  • UNASYN
  • US9120808, Sulbactam sodium salt
7 Ki 30 IC50 17 EC50
  • AGTR1
  • Angiotensin II AT1B
  • Angiotensin II receptor
  • Angiotensin II receptor (AT-1) type-1
  • Angiotensin-converting enzyme
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • Glycine receptor subunit alpha-1
  • Multidrug and toxin extrusion protein 1
  • Multidrug resistance-associated protein 4
  • PPAR alpha/gamma
  • 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
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
  • Solute carrier organic anion transporter family member 1B3 (OATP1B3)
  • 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
  • 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid
  • 4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid
  • 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid
  • 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
  • BIBR 277
  • CHEMBL1017
  • TELMISARTAN
49 IC50 4 Kd 1 EC50
  • BRAF/CRAF
  • Casein kinase I isoform delta
  • Casein kinase I isoform epsilon
  • Citron Rho-interacting kinase
  • MAP kinase p38
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 11
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 9
  • Myotonin-protein kinase
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • Serine/threonine protein kinase NLK
  • Serine/threonine-protein kinase 36
  • Serine/threonine-protein kinase GAK
  • Serine/threonine-protein kinase RIPK2
  • Streptavidin
  • TRAF2- and NCK-interacting kinase
  • Tyrosinase
  • p38 MAP kinase alpha/beta
  • CHEBI:90705
  • SB-203580
4 Ki 45 IC50 3 Kd 2 EC50
  • 10 kDa chaperonin
  • 60 kDa chaperonin
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Chromobox protein homolog 7
  • Dengue virus type 2 NS3 protein
  • Ectonucleoside triphosphate diphosphohydrolase 1
  • Ectonucleoside triphosphate diphosphohydrolase 2
  • Ectonucleoside triphosphate diphosphohydrolase 3
  • Ectonucleoside triphosphate diphosphohydrolase 8
  • Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
  • Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
  • Genome polyprotein
  • HSP60/HSP10
  • Heparanase
  • Multidrug resistance-associated protein 4
  • NAD-dependent deacetylase sirtuin 1
  • NAD-dependent deacetylase sirtuin 2
  • NAD-dependent deacetylase sirtuin 3
  • P2X purinoceptor 1
  • Protein-tyrosine phosphatase 1B
  • Putative silent information regulator 2
  • Subtilisin/kexin type 9
  • Thiosulfate sulfurtransferase
  • Tyrosyl-DNA phosphodiesterase 1
  • Tyrosyl-DNA phosphodiesterase 2
  • CHEMBL3040216
5 Ki 46 IC50 1 Kd 2 EC50
  • 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • 11-beta-hydroxysteroid dehydrogenase 2
  • 15-Lipoxygenase-2 (15-LOX-2)
  • 5-lipoxygenase/FLAP
  • Acetylcholinesterase
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase (AR)
  • Beta-glucuronidase
  • Beta-glucuronidase (EcGUS)
  • Butyrylcholinesterase (BuChE)
  • Carboxylesterase 2
  • Hematopoietic protein-tyrosine phosphatase (HEPTP)
  • Hypoxia-inducible factor prolyl hydroxylase
  • Lactoylglutathione lyase
  • Pancreatic alpha-amylase
  • Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
  • Prostaglandin E synthase/G/H synthase 2
  • Protein kinase C, eta
  • Protein-tyrosine phosphatase 1B
  • Protein-tyrosine phosphatase 1C
  • Solute carrier organic anion transporter family member 1B1 (OATP1B1)
  • Solute carrier organic anion transporter family member 1B3 (OATP1B3)
  • Tyrosine-protein phosphatase non-receptor type 11
  • Tyrosine-protein phosphatase non-receptor type 2
  • 18beta-glycyrrhetic acid
  • 3beta-hydroxy-11-oxoolean-12-en-30-oic acid
  • CHEMBL230006
  • glycyrrhetinic acid
7 Ki 33 IC50 14 EC50
  • 6-phospho-1-fructokinase
  • DNA primase (Ba DnaG)
  • DNA-dependent protein kinase
  • Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)
  • Ectonucleoside triphosphate diphosphohydrolase 1
  • Ectonucleoside triphosphate diphosphohydrolase 2
  • Ectonucleoside triphosphate diphosphohydrolase 8
  • Human immunodeficiency virus type 1 reverse transcriptase
  • NAD-Dependent Deacetylase Sirtuin-1
  • NAD-dependent deacetylase HST2
  • NAD-dependent deacetylase sirtuin 2
  • NAD-dependent protein deacetylase sirtuin-5 (SIRT5)
  • Nuclear receptor subfamily 1 group I member 2
  • Nucleoside triphosphate diphosphohydrolase 3
  • P2X purinoceptor 1
  • P2X purinoceptor 3
  • P2X purinoceptor 4
  • P2X purinoceptor 5
  • P2X purinoceptor 6
  • P2X purinoceptor 7
  • P2Y purinoceptor 1
  • Protein kinase C (PKC)
  • Protein-arginine N-methyltransferase 1
  • Protein-tyrosine phosphatase 1B
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y12
  • Purinergic receptor P2Y2
  • Purinergic, P2X2
  • Pyrimidinergic receptor P2Y4
  • Pyrimidinergic receptor P2Y6
  • Reverse transcriptase
  • RmtA
  • 5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino)]tris[1,3-benzenesulfonate analogue
  • 8,8'-(Carbonylbis(imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino))bisnaphthalene-1,3,5-trisulphonic acid
  • 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID
  • 8,8'-[Carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonyl-imino]]bis-1,3,5-naphthalenetrisulfonic acid(suramin)
  • 8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}benzene)amido]naphthalene-1,3,5-trisulfonic acid
  • CHEMBL265502
  • Germanin
  • Suramin hexasodium
  • US8835659, Suramin
  • Urea derivative
  • suramin
48 Ki 2 IC50 4 EC50
  • 3C-like proteinase
  • 3C-like proteinase (3CL-PRO)
  • 5-HT1
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Beta-2 adrenergic receptor
  • Bile salt export pump
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(4) dopamine receptor
  • DRD1
  • Dopamine receptor
  • HTR6
  • Histamine H1 receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Nuclear receptor subfamily 1 group I member 2
  • Serotonin (5-HT) receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • adrenergic Alpha2
  • ubiquitin-conjugating enzyme E2 N
  • CIS-THIOTHIXENE
  • MLS000028463
  • SMR000058396
  • THIOTHIXENE
  • cid_941651
  • med.21724, Compound Thiothixene
54 Ki
  • 5-HT3A Serotonin Receptor
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • CCKBR
  • Calcium channel
  • Cholecystokinin B
  • Cholinergic, muscarinic
  • Cysteinyl leukotriene receptor 1
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DRD1
  • Delta-type opioid receptor
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • HTR2C
  • Histamine H1 receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M2
  • NT
  • Norepinephrine transporter
  • Prostanoid TP receptor
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • Substance P
  • Voltage-gated sodium channel subunit alpha Nav1.8
  • adrenergic Alpha2
  • CAS_1893-33-0
  • NSC_4830
  • PIPAMPERONE
52 Ki 2 IC50
  • ADORA3
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • CHEMBL302765
  • J1.251.181G
  • MRE 3008F20
15 Ki 34 IC50 1 Kd 4 EC50
  • Androgen Receptor
  • Androgen receptor
  • Anti-estrogen binding site (AEBS)
  • Bile salt export pump
  • C-8 sterol isomerase
  • Calcium channel (Type L)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterases
  • Constitutive androstane receptor
  • Corticosteroid-binding globulin
  • Cytochrome P450 19A1
  • Cytochrome P450 1B1
  • Cytochrome P450 3A
  • Estradiol receptor beta (ERβ)
  • Estrogen receptor
  • G-protein coupled bile acid receptor 1
  • Multidrug resistance-associated protein 4
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • Sigma non-opioid intracellular receptor 1
  • Solute carrier organic anion transporter family member 1A1
  • Steroid 5-alpha-reductase
  • Sterol 14α-demethylase (CYP51)
  • Testis-specific androgen-binding protein
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Uridine-5'-diphosphoglucuronosyltransferase 1A6
  • Uridine-5'-diphosphoglucuronosyltransferase 2B10
  • Uridine-5'-diphosphoglucuronosyltransferase 2B7
  • (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
  • 17beta-Hydroxyandrost-4-en-3-one
  • Testosterone
  • Testosterone, 1
  • US9682960, Testosterone
54 IC50
  • Cytoplasmic tyrosine-protein kinase BMX
  • Epidermal growth factor receptor
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase Blk
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase FER
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase Yes
  • US8476284, 40
  • US9133201, 10
  • US9181263, 9
  • US9278100, 9