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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   108   109   110   111   112   113   114   115   116   117   118   119   120   121   123   124   125   126   127   128   
129   130   131   132   133   134   135   137   138   139   140   142   143   144   146   148   150   152   153   154   155   
157   158   159   160   161   162   163   164   166   168   171   173   174   177   178   182   183   185   186   188   189   
190   191   194   198   199   202   203   204   207   209   213   217   221   223   224   232   233   237   238   239   241   
249   251   253   262   271   273   277   282   285   286   292   295   303   305   307   308   320   325   330   333   335   
336   337   338   344   349   360   370   378   389   397   413   425   430   435   442   443   444   445   446   447   448   
450   453   456   457   458   460   461   463   465   466   467   468   471   472   475   479   480   482   498   512   513   
521   530   535   541   558   593   622   637   644   793   804   821   825   831   834   841   848   851   852   854   856   
868   883   887   892   913   923   924   938   939   994   999   1011   1013   1027   1031   1047   1070   1072   1099   1125   1196   
1484   1506   1618   1796   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Enz. Inhib. DataITC DataBinding TargetsAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM214799
PNG
2700260000
  • κ opioid receptor (KOR D138A)
  • κ opioid receptor (KOR D138N)
  • κ opioid receptor (KOR E297A)
  • κ opioid receptor (KOR H291A)
  • κ opioid receptor (KOR H291F)
  • κ opioid receptor (KOR I135A)
  • κ opioid receptor (KOR I294A)
  • κ opioid receptor (KOR I316A)
  • κ opioid receptor (KOR K200A)
  • κ opioid receptor (KOR K227A)
  • κ opioid receptor (KOR L212A)
  • κ opioid receptor (KOR M142A)
  • κ opioid receptor (KOR M226A)
  • κ opioid receptor (KOR Q115A)
  • κ opioid receptor (KOR Y119A)
  • κ opioid receptor (KOR Y119F)
  • κ opioid receptor (KOR Y139A)
  • κ opioid receptor (KOR Y139F)
  • κ opioid receptor (KOR Y312A)
  • κ opioid receptor (KOR Y312F)
  • κ opioid receptor (KOR Y313A)
  • κ opioid receptor (KOR Y313F)
  • κ opioid receptor (KOR Y320A)
  • κ opioid receptor (KOR Y320F)
  • κ opioid receptor (KOR Y66A)
  • Kappa-type opioid receptor
  • 1xx
BDBM22449
PNG
1436030000
  • 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
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • Histone deacetylase HD2
  • Leukotriene A4 hydrolase
  • CHEMBL356769
  • N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N -hydroxyoctanediamide
  • Tubacin
  • US9249087, Tubastatin A
BDBM26979
PNG
520010000
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha carbonic anhydrase
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Axin-1/Glycogen synthase kinase-3 beta
  • Beta-carbonic anhydrase
  • 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
  • Carbonic anhydrase, alpha family
  • Gamma-carbonic anhydrase
  • CHEMBL19429
  • CHEMBL69710
  • CHLORIDE
  • Cl-
  • POTASSIUM CHLORIDE
  • SODIUM CHLORIDE
  • chloride
  • chloride ion
BDBM31772
PNG
539540000
  • Acetylcholinesterase
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Alpha-chymotrypsin
  • Beta-lactamase AmpC
  • Bile salt export pump
  • Calcium release-activated calcium channel
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cholinesterase
  • Cytochrome P450 121
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 142 (CYP142)
  • Cytochrome P450 144 (CYP144)
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 2C19
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • DNA recombination protein RecA
  • Heme Oxygenase 1 (HO-1)
  • Heme Oxygenase 2 (HO-2)
  • Indoleamine 2,3-dioxygenase
  • Indoleamine 2,3-dioxygenase 1
  • Indoleamine 2,3-dioxygenase 2
  • Lanosterol 14-alpha demethylase
  • Malate dehydrogenase cytoplasmic
  • Metabotropic glutamate receptor 6
  • Multidrug resistance-associated protein 4
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Sterol 14α-demethylase (CYP51)
  • methionyl-tRNA synthetase
  • 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
  • Brentan
  • CHEMBL91
  • Dactarin
  • Miconazole
  • US9138393, Miconazole Nitrate
  • US9144538, Miconazole Nitrate
  • cid_4189
BDBM32020
PNG
146060000
  • 12-Lipoxygenase (12-LOX)
  • 15-Lipoxygenase (LoxA)
  • 15-Lipoxygenase-2 (15-LOX-2)
  • Arachidonate 15-lipoxygenase
  • Arachidonate 5-lipoxygenase
  • Caspase-1
  • Cyclooxygenase
  • Estradiol 17-beta-dehydrogenase 1
  • Estradiol 17-beta-dehydrogenase 2
  • Estrogen receptor
  • Gag-Pol polyprotein
  • Glucose 6-phosphate dehydrogenase (G6PD)
  • Heat shock protein HSP 90-alpha
  • Hsf1 protein
  • Leukotriene B4 receptor
  • Lipoxygenase
  • Lipoxygenase (LOX)
  • Lipoxygenase (SLO)
  • Lipoxygenase-1
  • POsterior Segregation family member (pos-1)
  • RNA polymerase beta subunit (EC 2.7.7.6)
  • RecName: Full=Zinc finger protein mex-5
  • Seed linoleate 9S-lipoxygenase
  • Transthyretin
  • glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
  • large T antigen
  • tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide
  • 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol
  • 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
  • 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol
  • BDBM166684
  • CHEMBL52
  • LOX inhibitor, N/A
  • MLS000069451
  • NORDIHYDROGUAIARETIC ACID
  • Nordihydroguaiaretic acid (NDGA)
  • SMR000059049
  • cid_4534
BDBM36126
PNG
00000000
  • gamma-cyclodextrin
BDBM50008923
PNG
046160000
  • Bacteriophage T4 DNA Ligase
  • Bile salt export pump
  • CAM-RNase A
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cystic fibrosis transmembrane conductance regulator
  • DNA topoisomerase
  • DNA topoisomerase 1
  • DNA topoisomerase I
  • DNA topoisomerase I (Topo I)
  • DNA topoisomerase type IB small subunit
  • Deoxyribonuclease-1
  • Deoxyribonuclease-2-alpha
  • Heterogeneous nuclear ribonucleoprotein A1
  • Human immunodeficiency virus type 1 integrase
  • Multidrug resistance-associated protein 4
  • Pancreatic endoplasmic reticulum kinase (PERK)
  • Reverse transcriptase
  • Serine/threonine-protein kinase Chk1/2
  • Somatostatin receptor
  • Telomerase reverse transcriptase
  • Topoisomerase II alpha (HuTopoIIα)
  • Type-2 restriction enzyme BamHI
  • Type-2 restriction enzyme EcoRI
  • Type-2 restriction enzyme HindIII
  • Type-2 restriction enzyme PstI
  • Type-2 restriction enzyme ScaI
  • Tyrosyl-DNA phosphodiesterase 1
  • Tyrosyl-DNA phosphodiesterase 2
  • (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione
  • (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin)
  • 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT)
  • 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione
  • CHEMBL65
  • Camptothecin (CT)
  • camptothecine
  • cid_24360
BDBM50051568
PNG
476000000
  • Somatostatin receptor type 1
  • Somatostatin receptor type 2
  • Somatostatin receptor type 3
  • Somatostatin receptor type 4
  • Somatostatin receptor type 5
  • Substance-P receptor
  • (3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-15-(4-hydroxy-benzyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16hexaaza-cyclooctadecane-2,5,8,11,14,17-hexaone
  • CHEMBL311695
  • seglitide
BDBM50085042
PNG
71016190000
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cruzipain
  • Intestinal fatty acid-binding protein (hIFABP)
  • Liver fatty acid binding protein (human L-FABP T94A)
  • Liver fatty acid binding protein (human L-FABP T94T)
  • Liver fatty acid binding protein (rat L-FABP)
  • Multidrug resistance-associated protein 4
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • Peroxisome proliferator-activated receptor
  • Peroxisome proliferator-activated receptor alpha
  • Peroxisome proliferator-activated receptor alpha (PPAR alpha)
  • Peroxisome proliferator-activated receptor gamma
  • 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester
  • CHEMBL672
  • FENOFIBRATE
  • FNF
  • Fenofibric acid
  • Finofibrate
  • Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate
  • Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate
  • Lipantil (TN)
  • Procetofen
  • Tricor (TN)
  • propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
BDBM50116766
PNG
2791160000
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cystic fibrosis transmembrane conductance regulator
  • D(1A) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DOPAMINE
  • DRD1
  • DRD2
  • Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)
  • Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
  • Dopamine receptor
  • Dopamine receptor D2 and D3
  • Multidrug resistance-associated protein 4
  • (-)-Pramipexole
  • (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
  • 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-
  • CHEMBL301265
  • PRAMIPEXOLE
  • cid_119570
BDBM50127140
PNG
540170000
  • Alpha trans-inducing protein (VP16)
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 3A
  • DNA topoisomerase I (Topo I)
  • DNA topoisomerase II
  • Human immunodeficiency virus type 1 integrase
  • Multidrug resistance protein 1/Multidrug resistance associated protein 1
  • Multidrug resistance-associated protein 2 (MRP2)
  • Multidrug resistance-associated protein 4
  • Nuclear receptor coactivator 1
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Regulatory protein E2
  • Serum paraoxonase/arylesterase 1
  • Similar to alpha-tubulin isoform 1
  • Solute carrier organic anion transporter family member 1B3 (OATP1B3)
  • Topoisomerase I/II
  • Topoisomerase II alpha (HuTopoIIα)
  • nuclear receptor coactivator 3 isoform a
  • (-)-etoposide
  • (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside
  • 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)
  • 4-demethylepipodophyllotoxin beta-D-ethylideneglucoside
  • 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one
  • CHEMBL44657
  • Etoposide (ET)
  • TRANS-ETOPOSIDE
  • VP-16
  • etoposide
BDBM50241107
PNG
3121100000
  • 5-hydroxytryptamine receptor 2A
  • Aldehyde oxidase
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • DOPAMINE
  • DRD1
  • DRD2
  • Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)
  • Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
  • Dopamine receptor
  • Dopamine receptor D2 and D3
  • HTR4
  • Multidrug and toxin extrusion protein 1
  • Multidrug and toxin extrusion protein 2
  • Multidrug resistance-associated protein 4
  • Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha
  • Potassium voltage-gated channel subfamily H member 2
  • Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Solute carrier family 22 member 2
  • 1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one
  • 5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol
  • 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone)
  • 5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
  • 6-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Domperidone)
  • CHEMBL219916
  • DOMPERIDONE
  • DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
  • US9132134, Domperidone
BDBM81498
PNG
476000000
  • 5-HT5
  • 5-HT5B
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1B (5HT1B)
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • HTR1D
  • HTR1F
  • HTR2B
  • HTR6
  • Serotonin (5-HT) receptor
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 1B/1D receptor
  • Serotonin 2 (5-HT2) receptor
  • Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
  • 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969)
  • CAS_108028
  • CHEMBL18785
  • NSC_108028
  • RU 24969
BDBM81774
PNG
4310000000
  • Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • DOPAMINE
  • DRD1
  • DRD2
  • Dopamine D1 receptor
  • Dopamine D2 receptor
  • Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)
  • Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
  • Dopamine receptor
  • Multidrug resistance-associated protein 4
  • Myeloperoxidase
  • Serotonin (5-HT) receptor
  • Serotonin 1 (5-HT1) receptor
  • Serotonin 2 (5-HT2) receptor
  • CAS_15676-16-1
  • SULPIRIDE,(+)
  • Sulpiride-S
  • Sulpiride-l
BDBM82015
PNG
4310000000
  • Adenosine A1 receptor
  • Adenosine A2 receptor
  • Adenosine A2a receptor
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione
  • 8-Phenyltheophylline
  • CAS_1922
  • CHEMBL62350
  • NSC_1922