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Compounds Sorted by Binding Data per Compound

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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   
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
BDBM10017
PNG
09000000
  • Aromatase (CYP19)
  • Carbonic anhydrase 2
  • Steryl-sulfatase
  • (4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate
  • JMC503540 Compound 2
  • YM511 Analog 4
  • YM511-based dual aromatase-sulfatase inhibitor (DASI) 4
  • dual aromatase-sulfatase inhibitor 4
BDBM10297
PNG
81000000
  • Caspase-1
  • Caspase-2
  • Caspase-3
  • Caspase-4
  • Caspase-6
  • Caspase-7
  • Caspase-8
  • Caspase-9
  • 1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione
  • Isatin analog 1
BDBM10298
PNG
81000000
  • Caspase-1
  • Caspase-2
  • Caspase-3
  • Caspase-4
  • Caspase-6
  • Caspase-7
  • Caspase-8
  • Caspase-9
  • 1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione
  • Isatin analog 2
BDBM10304
PNG
63000000
  • Acetylcholinesterase
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Carboxylesterase 1
  • Caspase-3
  • Cholinesterase
  • Chorismate mutase (MTB CM)
  • Factor XIIa
  • Human rhinovirus A protease
  • Transthyretin
  • 1-methyl-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL60569
  • Isatin analog 8
  • N‐methylindol‐2,3‐dione (Compound 2)
BDBM10316
PNG
81000000
  • Caspase-1
  • Caspase-2
  • Caspase-3
  • Caspase-4
  • Caspase-6
  • Caspase-7
  • Caspase-8
  • Caspase-9
  • (R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}isatin
  • 5-{[(2R)-2-[(phenylamino)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Isatin Sulfonamide 27
BDBM10348
PNG
16010000
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
  • 5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • IST-1
  • Pyridine Analogue 20
BDBM103776
PNG
60030000
  • Beta-2 adrenergic receptor and beta-3 adrenergic receptor
  • Muscarinic acetylcholine receptor M3
  • US8551978, I-46
  • US8816088, I-46
  • US9394275, I-46
  • US9572802, Compound I-46
  • US9682957, I-46
BDBM104175
PNG
09000000
  • Serine/threonine-protein kinase PIM
  • Serine/threonine-protein kinase PIM-3
  • Serine/threonine-protein kinase pim-2
  • US8575145, 157
  • US8575145, 158
  • US8575145, 52/127/128
BDBM106698
PNG
09000000
  • 5-hydroxytryptamine 1D receptor (5HT1D)
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial (eNOS)
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • Serotonin 1B/1D receptor
  • CHEMBL1957349
  • US8586620, 42
BDBM106896
PNG
63000000
  • Serine/threonine-protein kinase PIM
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
  • US8592455, 96
BDBM10692
PNG
09000000
  • Acetylcholinesterase
  • Cholinesterase
  • 3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-methylcarbamate
  • CHEMBL340427
  • Xanthostigmine
  • aminoalkoxyheteroaryl deriv. 8
BDBM106950
PNG
09000000
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cyclin-Dependent Kinase 7 (CDK7)
  • Cyclin-Dependent Kinase 9 (CDK9)
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
  • Cyclin-dependent kinase 9
  • US8592581, 1
BDBM10709
PNG
18000000
  • Acetylcholinesterase
  • Cholinesterase
  • Neuronal acetylcholine receptor subunit alpha-4
  • 1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate
  • CHEMBL11773
  • Eserine
  • Physostigmine
BDBM107681
PNG
09000000
  • HIV-1 Integrase
  • Human immunodeficiency virus type 1 integrase
  • (2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxobut-2-enoic acid (Compound 2)
  • CHEMBL19977
  • CHEMBL320261
BDBM108095
PNG
90000000
  • Coagulation factor X
  • Coagulation factor XI
  • Complement C1r subcomponent
  • Complement C1s
  • Plasma kallikrein
  • Plasminogen
  • Transcription initiation factor IIA
  • Vitamin K-dependent protein C
  • US8598206, Table 6, 4
BDBM108097
PNG
90000000
  • Coagulation factor X
  • Coagulation factor XI
  • Complement C1r subcomponent
  • Complement C1s
  • Plasma kallikrein
  • Plasminogen
  • Transcription initiation factor IIA
  • Vitamin K-dependent protein C
  • US8598206, Table 6, 6
BDBM108101
PNG
90000000
  • Coagulation factor X
  • Coagulation factor XI
  • Complement C1r subcomponent
  • Complement C1s
  • Plasma kallikrein
  • Plasminogen
  • Transcription initiation factor IIA
  • Vitamin K-dependent protein C
  • US8598206, Table 6, 10
BDBM108112
PNG
90000000
  • Coagulation factor X
  • Coagulation factor XI
  • Complement C1r subcomponent
  • Complement C1s
  • Plasma kallikrein
  • Plasminogen
  • Transcription initiation factor IIA
  • Vitamin K-dependent protein C
  • US8598206, Table 6, 21
BDBM10841
PNG
09000000
  • Casein Kinase I
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Dual specificty protein kinase CLK1
  • Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
  • Glycogen Synthase Kinase-3, beta
  • cAMP-Dependent Protein Kinase (PKA)
  • cGMP-Dependent Protein Kinase
  • 4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine
  • Meridianin D
BDBM10960
PNG
09000000
  • Acetylcholinesterase
  • Butyrylcholinesterase
  • Cholinesterase
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate
  • 4-isopropylphenserine
  • Cymserine
  • cymserine.tartaric acid
BDBM10984
PNG
09000000
  • Acetylcholinesterase
  • Cholinesterase
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N,N-dimethylcarbamate
  • CHEMBL308043
  • N-methylphysostigmine
  • Physostigmine analog 33
BDBM10999
PNG
51300000
  • Adrenergic receptor alpha-2
  • Cytochrome P450 130
  • Cytochrome P450 130 (G243A)
  • Cytochrome P450 142 (CYP142)
  • Phenylethanolamine N-methyltransferase
  • Trypsin-1
  • Urease
  • Benzenemethanamine
  • CHEMBL522
  • benzylamine
  • phenylmethanamine
BDBM11018
PNG
90000000
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase type B (MAO-B) Mutant (I199F)
  • 2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dione
  • 8-(3-chlorostyryl)caffeine (CSC)
BDBM11020
PNG
90000000
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase type B (MAO-B) Mutant (I199F)
  • 1,4-diphenyl-2-butene (DPB)
  • [(2E)-4-phenylbut-2-en-1-yl]benzene
BDBM11160
PNG
09000000
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase IX
  • Dipeptidyl peptidase VIII
  • (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]butan-1-one hydrochloride
  • Sitagliptin Analog 13
  • Triazolopiperazine Analogue 25
BDBM113577
PNG
09000000
  • ADAM17
  • Collagenase
  • Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)
  • Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)
  • Matrix metalloproteinase-1 (MMP1)
  • Stromelysin-1
  • US8633196, 14
  • US8633196, 5
  • US9365529, 5
BDBM11365
PNG
81000000
  • Aldehyde dehydrogenase 1A1
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase
  • Collagenase (ChC)
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase-1 (MMP1)
  • CHEMBL98328
  • Hydroxysulfonamide 46
  • N-hydroxymethanesulfonamide
BDBM11372
PNG
81000000
  • Aldehyde dehydrogenase 1A1
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase
  • Collagenase (ChC)
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase-1 (MMP1)
  • CHEMBL55310
  • Hydroxysulfonamide 53
  • N-hydroxybenzenesulfonamide
BDBM119122
PNG
09000000
  • MurA (E. coli)
  • MurB (E. coli)
  • MurB (S. aureus)
  • MurC
  • MurC (S. aureus)
  • MurD
  • MurD (S. aureus)
  • MurE
  • MurE (E. coli)
  • MurA/B/C/D/E inhibitor (compound 67)
BDBM120076
PNG
09000000
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
  • Macrophage colony-stimulating factor 1 receptor
  • Macrophage colony-stimulating factor 1 receptor (c-Fms)
  • Mast/stem cell growth factor receptor Kit
  • Voltage-gated potassium channel
  • CHEMBL256712
  • US8697716, 16
BDBM120086
PNG
18000000
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Mitogen-activated protein kinase 1
  • Voltage-gated potassium channel
  • US8697715, 1
  • US9259470, 1
BDBM120395
PNG
09000000
  • Mast/stem cell growth factor receptor Kit
  • Platelet-derived growth factor receptor beta
  • Tyrosine-protein kinase ABL1
  • US8703771, 13
  • US8703771, 14
  • US8703771, 8
BDBM120777
PNG
45000000
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US8710076, E-2
BDBM121388
PNG
09000000
  • Aurora kinase A
  • Aurora kinase B
  • Cytochrome P450 3A
  • Macrophage colony-stimulating factor 1 receptor
  • Mast/stem cell growth factor receptor Kit
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor
  • Vascular endothelial growth factor receptor 2
  • US8722890, 3
BDBM121389
PNG
09000000
  • Aurora kinase A
  • Aurora kinase B
  • Cytochrome P450 3A
  • Macrophage colony-stimulating factor 1 receptor
  • Mast/stem cell growth factor receptor Kit
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor
  • Vascular endothelial growth factor receptor 2
  • US8722890, 4
BDBM121390
PNG
09000000
  • Aurora kinase A
  • Aurora kinase B
  • Cytochrome P450 3A
  • Macrophage colony-stimulating factor 1 receptor
  • Mast/stem cell growth factor receptor Kit
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor
  • Vascular endothelial growth factor receptor 2
  • US8722890, 5
BDBM123097
PNG
90000000
  • Cathepsin K
  • Cathepsin L1
  • Cathepsin S
  • US8735395, 1
  • US9200006, 1
BDBM123098
PNG
90000000
  • Cathepsin K
  • Cathepsin L1
  • Cathepsin S
  • US8735395, 2
  • US9200006, 2
BDBM123744
PNG
07020000
  • Phospholipase D (PLD)
  • Phospholipase D (PLD_sp)
  • Phospholipase D2 (PLD2)
  • 5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide, 14
  • CHEMBL398567
  • FIPI hydrochloride hydrate (FIPI_HCl)
BDBM125378
PNG
09000000
  • Phosphatidylinositol 3-kinase regulatory subunit alpha
  • Phosphatidylinositol 3-kinase regulatory subunit beta
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
  • Serine/threonine-protein kinase mTOR
  • US9682141, 139
  • US9682141, 217
BDBM126693
PNG
63000000
  • 5-hydroxytryptamine receptor 1A (5-HT1A)
  • Cytochrome P450 2D6 (2D6)
  • Sodium-dependent serotonin transporter
  • US8778970, 5-1
  • US8778970, 5-12
  • US8778970, 5-13
BDBM126937
PNG
090000
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