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Compounds Sorted by Binding Data per Compound

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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   
108   109   110   111   112   113   114   116   117   118   119   120   122   123   124   125   126   127   128   129   130   
131   132   133   135   136   137   138   139   140   141   143   145   146   147   148   150   151   152   153   154   156   
157   158   159   160   162   164   165   168   169   170   171   173   178   183   186   188   190   194   195   202   203   
207   208   210   217   220   222   223   224   230   232   239   241   248   255   259   277   285   288   289   297   303   
304   306   308   310   329   330   333   335   336   337   355   360   364   381   389   411   442   443   444   445   446   
448   450   453   454   455   456   457   459   460   461   463   464   465   467   481   492   497   500   508   511   523   
527   536   538   581   730   790   804   821   824   829   831   832   836   838   847   848   853   855   864   865   880   
913   923   928   938   943   960   988   989   991   1004   1027   1046   1094   1125   1196   1336   1370   1421   1584   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Enz. Inhib. DataITC DataBinding TargetsAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM10441
PNG
711000000
  • Acetylcholinesterase
  • Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
  • Cholinesterase
  • (+)-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
BDBM10972
PNG
018000000
  • Acetylcholinesterase
  • Cholinesterase
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-heptylcarbamate
  • CHEMBL433041
  • Eptastigmine
  • Heptylphysostigmine
BDBM11682
PNG
117000000
  • Acetylcholinesterase
  • Cholinesterase
  • Cholinesterases; ACHE & BCHE
  • 2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
  • Rivastigmine.tartrate
  • US9586925, Rivastigmine
BDBM120212
PNG
180000000
  • Collagenase
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase 10
  • Matrix metalloproteinase 14
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-7 (MMP7)
  • Stromelysin-1
  • US8691753, 61
  • US8691753, 72
BDBM120246
PNG
180000000
  • Collagenase
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase 10
  • Matrix metalloproteinase 14
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-7 (MMP7)
  • Stromelysin-1
  • US8691753, 95
  • US8691753, 96
BDBM14147
PNG
180000000
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Urokinase-type plasminogen activator
  • APC-10818
  • {amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
BDBM14149
PNG
180000000
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Urokinase-type plasminogen activator
  • 6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamide
  • APC-11092
BDBM14154
PNG
180000000
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Urokinase-type plasminogen activator
  • 2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate
  • APC-10972
BDBM143754
PNG
180000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US10183953, Example 15
  • US8969352, 15
  • US9611277, Example 15
BDBM143758
PNG
180000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US10183953, Example 19
  • US8969352, 19
  • US9611277, Example 19
BDBM150
PNG
132101100
  • HIV-1 Protease
  • HIV-1 protease
  • Human immunodeficiency virus type 1 protease
  • (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one
  • DMP323
BDBM163876
PNG
180000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 10A
  • US9062078, 10B
  • US9062078, 9
  • US9475819, 9
  • US9695183, 10B
BDBM163924
PNG
180000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 176
  • US9062078, 55
  • US9475819, 55
  • US9695183, 55
BDBM164903
PNG
018000000
  • BDNF/NT-3 growth factors receptor
  • BDNF/NT-3 growth factors receptor (TRKB)
  • High affinity nerve growth factor receptor
  • Macrophage colony-stimulating factor 1 receptor
  • Macrophage colony-stimulating factor 1 receptor (c-FMS)
  • US10166239, Ex. 3-28
  • US9067914, Ex. 3-17
  • US9067914, Ex. 3-28
BDBM17747
PNG
315000000
  • Alpha-synuclein
  • Beta amyloid A4 protein
  • Epidermal growth factor receptor
  • Insulin-like growth factor I receptor
  • Macrophage colony-stimulating factor 1 receptor
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Receptor tyrosine-protein kinase erbB-2
  • Tau
  • Vascular endothelial growth factor receptor 1
  • cFMS -Tie-2 Chimera
  • (3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
  • CHEMBL328710
  • SU 4312
  • SU4312
BDBM18372
PNG
410120000
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
  • Bile Salt Export Pump, BSEP
  • Bile salt export pump (BSEP)
  • HMG-CoA reductase
  • Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
  • (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
  • CHEMBL1496
  • Ros
  • Rosuvastatin
  • US9102656, Rosuvastatin
  • ZD4522
BDBM1866
PNG
116010000
  • HIV-1 Reverse Transcriptase
  • HIV-1 Reverse Transcriptase Mutant (L100I)
  • HIV-1 Reverse Transcriptase Mutant (Y181C)
  • Human immunodeficiency virus type 1 reverse transcriptase
  • 3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]thiourea hydrochloride
  • LY-300046 HCl
  • LY300046HCl
  • N-(2-(2-Pyridylethyl))-N -(2-(5-bromopyridyl))thiourea
  • PETT deriv.
  • Trovirdine
BDBM18797
PNG
018000000
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)
  • (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfanyl)phenyl]formamido}pentanedioic acid
  • CHEMBL225180
  • Pyrrolo[2,3-d]pyrimidine analogue, 1
BDBM198218
PNG
018000000
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • jak2
  • US9216999, 26
  • US9556187, Example 84
BDBM2
PNG
62050000
  • Cholecystokinin
  • Heat Shock 70kDa Protein 1
  • P2X purinoceptor 2
  • P2X purinoceptor 3
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y2
  • Thymidine Kinase (TK.dT)
  • adrenergic Alpha2
  • tRNA synthetase (GlyRS)
  • ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
  • ATP
  • Brimonidine ATP
  • CHEMBL14249
BDBM20732
PNG
012510000
  • HSP90 and hnRNPA2/B1
  • Heat Shock Protein 90 (Hsp90)
  • Heat shock protein 75 kDa, mitochondrial
  • Heat shock protein 90 beta
  • Heat shock protein HSP 90
  • Heat shock protein HSP 90-alpha
  • (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
  • BODIPY-labeled Geldanamycin
  • CHEMBL278315
  • GM-BODIPY
  • Geldanamycin
  • geldanomycin
BDBM21021
PNG
76050000
  • Delta-type opioid receptor
  • Neurokinin 1 receptor
  • Nociceptin/mu opioid receptor
  • Substance-P receptor
  • mu/kappa opioid receptor
  • Bifunctional Peptide Ligand, 5 (TY005)
  • CHEMBL389652
  • H-Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-O-3,5-Bzl(CF3)2
  • [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate
BDBM21282
PNG
141030000
  • Bile acid receptor
  • Cannabinoid receptor
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • Cannabinoid receptor 2 (CB2)
  • Pregnane X receptor (PXR)
  • 2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-indole
  • CHEMBL306764
  • JWH-015
BDBM213240
PNG
00900000
  • Caseinolytic protein C1 (ClpC1 NTD E89A)
  • Caseinolytic protein C1 (ClpC1 NTD E89Q)
  • Caseinolytic protein C1 (ClpC1 NTD F2A)
  • Caseinolytic protein C1 (ClpC1 NTD F2Y)
  • Caseinolytic protein C1 (ClpC1 NTD F80A)
  • Caseinolytic protein C1 (ClpC1 NTD F80Y)
  • Caseinolytic protein C1 (ClpC1 NTD)
  • Caseinolytic protein C1 (ClpC1 NTD-D1)
  • Caseinolytic protein C1 (ClpC1)
  • Cyclomarin A1 (CymA1)
BDBM21842
PNG
130140000
  • Delta-type opioid receptor
  • Kappa-type opioid receptor
  • Mu-type opioid receptor
  • Nociceptin receptor
  • Nociceptin/Orphanin FQ, NOP receptor
  • Nociceptin/mu opioid receptor
  • Opioid receptor
  • Opioid receptors; mu & delta
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]propanamido]butanediamido]-4-carbamoylbutanoic acid
  • N/OFQ
  • OFQ 1-17
  • OFQ/N
  • Orphanin FQ
  • [125I]-nociceptin
  • nociceptin
BDBM21960
PNG
180000000
  • Nitric Oxide Synthase, brain
  • Nitric Oxide Synthase, brain Mutant (D597N)
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, endothelial Mutant (N368D)
  • Nitric Oxide Synthase, inducible
  • Nitric-oxide synthase, brain
  • 3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-nitroguanidine
  • CHEMBL227937
  • JMC522060 Compound 2
  • N omega-Nitro-L-Arginine-Containing Dipeptide, 1
BDBM22888
PNG
170100000
  • Alpha-1A adrenergic receptor
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Histamine receptor (H3)
  • 1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea
  • Burimamide
  • CHEMBL12160
BDBM23222
PNG
414000000
  • 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
BDBM23498
PNG
018000000
  • A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  • ADAM17
  • Collagenase
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • (3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
  • CHEMBL207729
  • TMI-1
BDBM242431
PNG
99000000
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • US9422235, 4
BDBM243404
PNG
018000000
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • Monoamine oxidase
  • N-cyclopentyl-5- ((1R,2R)-2- (tetrahydro-2H- pyran-4-ylamino)- cyclopropyl)thio- phene-3-carboxamide
  • US10053456, 38
  • US10053456, 39
  • US9718814, 39
BDBM243408
PNG
018000000
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • Monoamine oxidase
  • 5-((1R,2R)-2- (cyclobutylamino)- cyclopropyl)-N- (tetrahydro-2H- pyran-4- yl)thiophene-3- carboxamide
  • US10053456, 42
  • US10053456, 43
  • US9718814, 43
BDBM243411
PNG
018000000
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • Monoamine oxidase
  • 5-((1R,2R)-2-(cis- (4-aminocyclohexyl)- amino)cyclopropyl)- N-(4,4- difluorocyclohexyl)- thiophene-3- carboxamide or5-((1R,2R)-2-(trans-(4-aminocyclohexyl)-amino)cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
  • US10053456, 45
  • US10053456, 46
  • US9718814, 46
BDBM245918
PNG
000180000
  • 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)
  • US9433609, 2
  • US9433609, 4
BDBM246196
PNG
018000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 105
  • US9434690, 101
  • US9434690, 102
  • US9434690, 103
  • US9434690, 104
  • US9434690, 105
BDBM246852
PNG
018000000
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • ((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4,5- d]thieno[3,2- b]pyridin-1- yl}tetrahydro-2H- pyran-2- yl)acetonitrile
  • US10053465, 1
  • US10065963, Compound 1
  • US10125150, Example 1
BDBM246853
PNG
018000000
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase Mer
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor UFO
  • 4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,1'H-4,4'- bipyrazol-1- yl)azetidin-1-yl]-2,5- difluoro-N-[(1S)- 2,2,2-trifluoro-1- methylethyl] benzamide
  • US10053465, 2
  • US10065963, Compound 2
  • US10125150, Example 2
BDBM249482
PNG
018000000
  • Retinol-binding protein 4
  • Transthyretin
  • US10072016, Compound 81
  • US9434727, 80
  • US9434727, 81
BDBM25146
PNG
018000000
  • Histone Deacetylase 4 (HDAC4) Mutant (H976Y)
  • Histone deacetylase
  • Histone deacetylase 1
  • Histone deacetylase 1/3/5/8
  • Histone deacetylase 3/NCoR1
  • Histone deacetylase 4
  • Histone deacetylase 6
  • Histone deacetylase 7 (HDAC7)
  • Histone deacetylase 8
  • 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
  • 4-phenylimidazole, 17
  • CHEMBL407959
BDBM253961
PNG
018000000
  • CDK2/CycE
  • CDK2/Cyclin A1
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • US9464092, AAA
  • US9464092, FFF
  • US9527857, FFF
BDBM254134
PNG
810000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10112937, Example 12
  • US10150765, Example 12
  • US9464084, 12
BDBM254296
PNG
5130000
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