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Compounds Sorted by Binding Data per Compound

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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
BDBM104065
PNG
08600000
  • Death-associated protein kinase 1
  • Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 2 (DYRK2)
  • Interleukin-1 receptor-associated kinase 4
  • Myosin light chain kinase, smooth muscle
  • Rho-associated protein kinase 2
  • Serine/threonine-protein kinase PIM
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
  • HS38
BDBM104169
PNG
014000000
  • Serine/threonine-protein kinase PIM
  • Serine/threonine-protein kinase PIM-3
  • Serine/threonine-protein kinase pim-2
  • US8575145, 46/47/48/49/50
  • US8575145, 77
  • US8575145, 78
  • US8575145, 79
  • US8575145, 80
BDBM104692
PNG
104000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US8569311, E-5
BDBM10622
PNG
014000000
  • Acetylcholinesterase
  • Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
  • Cholinesterase
  • (-)-Phenserine
  • (3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
  • CHEMBL54727
BDBM10958
PNG
014000000
  • Acetylcholinesterase
  • Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
  • Cholinesterase
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
  • CHEMBL74926
  • phenserine
  • phenserine.tartaric acid
BDBM112499
PNG
014000000
  • Epidermal growth factor receptor
  • Proto-oncogene tyrosine-protein kinase Src
  • Receptor tyrosine-protein kinase erbB-2
  • Receptor tyrosine-protein kinase erbB-4 (HER4)
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • DACOMITINIB
  • US8623883, No. 2
BDBM119531
PNG
014000000
  • Phosphatidylinositol 3-kinase regulatory subunit alpha
  • Phosphatidylinositol 3-kinase regulatory subunit beta
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
  • 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, 529
  • US9682141, 54
BDBM121202
PNG
140000000
  • Prokineticin receptor 1 (PRK1)
  • Prokineticin receptor 2 (PRK2)
  • US8722896, (+)-(2S)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
  • US8722896, (+/-)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
  • US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
BDBM12351
PNG
311000000
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(3-methylthiophen-2-yl)pyridine
  • CHEMBL179669
  • US8609708, 4
  • nicotine 3-heteroaromatic analogue 4
BDBM12581
PNG
58000000
  • Farnesyl Diphosphate Synthase (FPPS)
  • Farnesyl diphosphate synthase
  • Farnesyl pyrophosphate synthase
  • Geranylgeranyl Diphosphate Synthase (GGPPS)
  • Hypoxanthine-guanine phosphoribosyltransferase
  • (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
  • Bisphosphonate 6
  • CHEMBL834
  • JMC515594 Compound 62
BDBM136033
PNG
014000000
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 5
  • US8853203, 88
  • US9650377, Example 88j
BDBM14142
PNG
140000000
  • Coagulation factor X
  • Hepsin
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin-1
  • Urokinase (uPA) Mutant (S190A)
  • Urokinase-type plasminogen activator
  • 2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phenylbenzen-1-olate
  • 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1-BIPHENYL-2-OLATE)
  • APC-8696
  • CA-04
  • CRA-8696
BDBM14152
PNG
140000000
  • Coagulation factor X
  • Hepsin
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin-1
  • Urokinase (uPA) Mutant (S190A)
  • Urokinase-type plasminogen activator
  • 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE
  • APC-10302
  • CA-14
  • CRA-10302
  • {amino[6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
BDBM142598
PNG
014000000
  • Glycogen synthase kinase-3
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase Src
  • SRC
  • Tyrosine-protein kinase SYK
  • p38 delta/gamma
  • US8933228, Ref 2
  • US9242960, 1
  • US9249125, Reference Compound
  • US9701670, Reference Compound
BDBM149919
PNG
410000000
  • Beta-secretase 1
  • Voltage-gated potassium channel
  • US8975415, RP200
  • US8975415, RP202
  • US9242973, RP202
BDBM15458
PNG
113000000
  • Cyclin-dependent kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 2
  • Epidermal growth factor receptor
  • Heat shock protein beta-1
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 9
  • PKC alpha and beta-2
  • Protein kinase C alpha type
  • RAF proto-oncogene serine/threonine-protein kinase
  • Tyrosine-protein kinase Lck
  • c-Jun N-terminal kinase, JNK
  • 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-methoxypyrimidine
  • 4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]-2-methoxypyrimidine
  • CHEMBL95692
  • SB-242235
  • SB242235
BDBM158157
PNG
014000000
  • ALK tyrosine kinase receptor
  • Aurora kinase A
  • Aurora kinase B
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • US10081622, Compound 18
  • US9029356, 18
  • US9255087, 18
  • US9616059, 18
BDBM160062
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 3
  • US10053463, 3
  • US9040534, 3
BDBM160076
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 17
  • US10053463, 17
  • US9040534, 17
BDBM160077
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 18
  • US10053463, 18
  • US9040534, 18
BDBM160082
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 23
  • US10053463, 23
  • US9040534, 23
BDBM160087
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 28
  • US10053463, 28
  • US9040534, 28
BDBM160088
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 29
  • US10053463, 29
  • US9040534, 29
BDBM160089
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 30
  • US10053463, 30
  • US9040534, 30
BDBM160152
PNG
68000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 93
  • US10053463, 93
  • US9040534, 93
BDBM162123
PNG
310100000
  • Apoptosis regulator Bcl-2
  • Baculoviral IAP repeat-containing protein 2
  • Cytochrome P450 3A
  • E3 ubiquitin-protein ligase Mdm2
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • X-linked inhibitor of apoptosis protein (XIAP)
  • p53-Binding Protein HDMX
  • US9051279, 106
BDBM163857
PNG
014000000
  • Renal Outer Medullary Potassium (ROMK)
  • US9062070, 2A
  • US9062070, 2B
  • US9062070, 2C
  • US9062070, 2D
  • US9062070, 2E
  • US9062070, 2F
  • US9062070, 2G
  • US9062070, 2H
BDBM163879
PNG
140000000
  • Orexin receptor type 1
  • Orexin receptor type 2
  • US9062078, 11
  • US9062078, 12A
  • US9062078, 12B
  • US9475819, 11
  • US9695183, 12B
BDBM16512
PNG
011100000
  • Aldehyde reductase
  • Aldose Reductase (ALR2) Mutant (L300P)
  • Aldose reductase
  • Aldose reductase (AR)
  • (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide
  • (2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide
  • CHEMBL84446
  • Fidarestat
  • Fidarestat (1)
BDBM18245
PNG
012020000
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • (2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid
  • N-{4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)sulfanyl]benzoyl}-L-glutamic acid
  • Pyrrolo[2, 3-d]pyrimidine analogue, 1a
BDBM18353
PNG
310010000
  • Alpha-mannosidase 2C1
  • Glucosylceramidase
  • Lactase-glycosylceramidase
  • Lysosomal alpha-glucosidase
  • Maltase-glucoamylase
  • Mannosidase 2 alpha 1
  • Mannosidase 2, alpha B1
  • Trehalase
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • alpha-glucosidase (Gaa)
  • (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
  • CHEMBL75971
  • N-Methyl-DNJ
  • US9181184, 2
BDBM18779
PNG
104000000
  • Beta-hexosaminidase subunit alpha (HexA)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
  • CHEMBL21778
  • P17
BDBM189434
PNG
140000000
  • Coagulation factor III/Factor VIIa (fVIIa)
  • Coagulation factor IX and X
  • Coagulation factor VII
  • Coagulation factor X
  • Coagulation factor XI
  • Coagulation factor XII
  • Kallikrein 1
  • Plasma kallikrein
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Urokinase-type plasminogen activator/surface receptor
  • Vitamin K-dependent protein C
  • US9174974, Example 19
BDBM194639
PNG
014000000
  • A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  • A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
  • Collagenase
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  • Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
  • Stromelysin-1
  • US9206139, 2
BDBM194644
PNG
014000000
  • A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  • A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
  • Collagenase
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-12 (MMP12)
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
  • Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
  • Stromelysin-1
  • US9206139, 3
BDBM198226
PNG
014000000
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • jak2
  • US9216999, 34
  • US9556187, Example 210
BDBM20334
PNG
36050000
  • Transient receptor potential cation channel subfamily V member 1
  • Vanilloid receptor
  • 1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea
  • 1-isoquinolin-5-yl-3-{[4-(trifluoromethyl)phenyl]methyl}urea
  • A-425619
  • CHEMBL104028
  • JMC48744 Compound 14a
BDBM205453
PNG
130100000
  • BET bromodomain 2(1) (BRD2(1))
  • BET bromodomain 2(1,2) (BRD2(1,2))
  • BET bromodomain 2(2) (BRD2(2))
  • BET bromodomain 3(1) (BRD3(1))
  • BET bromodomain 3(1,2) (BRD3(1,2))
  • BET bromodomain 3(2) (BRD3(2))
  • BET bromodomain 4 (BRD4)
  • BET bromodomain 4(1,2) (BRD4(1,2))
  • BET bromodomain 4(2) (BRD4(2))
  • Bromodomain protein 4 (BRD4-BD1)
  • Bromodomain testis (1, 2) (BRDT(1,2))
  • Bromodomain testis 1 (BRDT(1))
  • Bromodomain testis 2 (BRDT(2))
  • MTI (35)
BDBM205483
PNG
001400000
  • CDKL2
  • Fibroblast growth factor receptor 2
  • Macrophage colony-stimulating factor 1 receptor
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 14
  • PAK1
  • PITSLRE serine/threonine-protein kinase CDC2L1
  • Platelet-derived growth factor receptor
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAF serine/threonine protein kinase
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • US9260417, 6
BDBM20877
PNG
28040000
  • Sodium/glucose cotransporter 1 (SGLT1)
  • Sodium/glucose cotransporter 2 (SGLT2)
  • Solute carrier family 2, facilitated glucose transporter member 1
  • 3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-1-one
  • CHEMBL183937
  • JMC511145 Compound 2
  • O-glucoside, 2
  • T-1095A
BDBM21363
PNG
311000000
  • Cytochrome P450 3A
  • Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Peripheral-Type Benzodiazepine Receptor
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Uridine-5'-diphosphoglucuronosyltransferase 1A6
  • Uridine-5'-diphosphoglucuronosyltransferase 2B10
  • Uridine-5'-diphosphoglucuronosyltransferase 2B7
  • 12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene
  • 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
  • CHEMBL655
  • Dormicum
  • Midazolam
  • Ro 21-3981
BDBM21961
PNG
1400000
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