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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   
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   205   206   207   208   209   210   216   220   224   
226   227   230   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   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   1102   1115   
1130   1133   1206   1262   1543   1639   1903   2029   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Enz. Inhib. DataITC DataBinding TargetsAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM10245
PNG
020130000
  • HIV-1 Reverse Transcriptase
  • Human immunodeficiency virus type 1 reverse transcriptase
  • 3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),6,8,10-tetraene
  • CHEMBL53554
  • NSC 625487
  • TBZ
  • Thiazolobenzimidazole
BDBM102618
PNG
015000000
  • 5'-AMP-activated protein kinase subunit beta-1
  • ALK1
  • ALK2
  • ALK3
  • ALK4
  • ALK5
  • Activin receptor type-1
  • Activin receptor type-1B
  • Activin receptor-like kinase 3 (ALK-3)
  • Bone morphogenetic protein 4
  • Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495
  • Bone morphogenetic protein receptor type-2
  • Serine/threonine-protein kinase receptor R3
  • TGF-beta receptor type II
  • TGF-beta receptor type-1
  • LDN-212854
BDBM10889
PNG
150000000
  • Carbonic Anhydrase (hpCA)
  • Carbonic Anhydrase (mtCA 1)
  • Carbonic Anhydrase (mtCA 3)
  • Carbonic Anhydrase 2 (Can2)
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 9
  • beta-Carbonic Anhydrase
  • 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
  • Sulmepride
  • Sulpiride (SLP)
BDBM10949
PNG
114000000
  • Acetylcholinesterase
  • Cholinesterase
  • Cholinesterases
  • 3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dimethoxy-2H-2-chromenone
  • 3-(4-{[benzyl(methyl)amino]methyl}phenyl)-6,7-dimethoxy-2H-chromen-2-one
  • AP2238
  • CHEMBL75121
BDBM10958
PNG
014010000
  • Acetylcholinesterase
  • Carboxylic ester hydrolase
  • Cholinesterases
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
  • CHEMBL74926
  • US10864192, Compound (-)-Phenserine
  • phenserine
  • phenserine.tartaric acid
BDBM11023
PNG
114000000
  • Acetylcholinesterase
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Cholinesterases
  • Genome polyprotein
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid
  • Eserine
  • cid_657348
  • physostigmine.salicylic acid
BDBM11611
PNG
150000000
  • β-Carbonic anhydrase 2 (CA 2)
  • β-Carbonic anhydrase 3 (CA 3)
  • Astrosclerin-3
  • Carbonic Anhydrase (mtCA 1)
  • Carbonic Anhydrase III
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • β-CA inhibitor, 10
  • 4-Amino-3,5-dibromobenzenesulfonamide
  • 4-amino-3,5-dibromobenzene-1-sulfonamide
  • CHEMBL306195
  • halogenosulfanilamide deriv. 12
BDBM123097
PNG
150000000
  • Cathepsin K
  • Cathepsin S
  • Procathepsin L
  • US10723709, Example 1
  • US8735395, 1
  • US9200006, 1
BDBM123098
PNG
150000000
  • Cathepsin K
  • Cathepsin S
  • Procathepsin L
  • US10723709, Example 2
  • US8735395, 2
  • US9200006, 2
BDBM12345
PNG
312000000
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • CHEMBL178090
  • US8609708, 2
  • US8609708, 47
  • [5-(pyridin-3-yl)furan-2-yl]methanamine
  • nicotine 3-heteroaromatic analogue 2a
BDBM12348
PNG
312000000
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(pyridin-3-yl)prop-2-yn-1-amine
  • CHEMBL360541
  • US8609708, 3
  • nicotine 3-heteroaromatic analogue 3a
BDBM12357
PNG
312000000
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • Indoleamine 2,3-dioxygenase
  • 3-(1H-imidazol-4-yl)pyridine
  • CHEMBL178516
  • JMC514968 Compound 7
  • US8609708, 14
  • US8609708,14
  • nicotine 3-heteroaromatic analogue 10
BDBM12985
PNG
312000000
  • Aurora kinase A/B
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Serine/threonine-protein kinase Aurora-C
  • Tyrosine-protein kinase ABL1
  • 5-Amido-pyrrolopyrazole 9d
  • CHEMBL402548
  • N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
BDBM143373
PNG
015000000
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Fatty-acid amide hydrolase 1
  • Fatty-acid amide hydrolase 1 (aa 30-579)
  • US9682953, 20.A-10
  • US9682953, 20.A-9
BDBM145227
PNG
015000000
  • Sodium channel protein type 5 subunit alpha
  • Sodium channel protein type 9 subunit alpha
  • US8952169, 6
  • US9771376, Example 6
BDBM158155
PNG
015000000
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • US10081622, Compound 4
  • US9029356, 4
  • US9255087, 4
  • US9616059, 4
BDBM158156
PNG
015000000
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • US10081622, Compound 26
  • US9029356, 26
  • US9255087, 26
  • US9616059, 26
BDBM162123
PNG
311100000
  • 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
  • MDM2-MDMX
  • X-linked inhibitor of apoptosis protein (XIAP)
  • p53-Binding Protein HDMX
  • US9051279, 106
BDBM164065
PNG
150000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 195
  • US9475819, 195
  • US9637496, 379
  • US9695183, 195
BDBM164080
PNG
150000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 210
  • US9475819, 235
  • US9637496, 210
  • US9695183, 210
  • US9695183, 235
BDBM164136
PNG
150000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 266
  • US9475819, 266
  • US9637496, 409
  • US9695183, 266
BDBM164808
PNG
015000000
  • Cytoplasmic tyrosine-protein kinase BMX
  • Receptor protein-tyrosine kinase erbB-4
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase TEC
  • Tyrosine-protein kinase TXK
  • US10604504, Example 5
  • US9688629, 5
  • US9802915, Example 22
  • US9920031, Example 5
BDBM164883
PNG
015000000
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDK2/Cyclin A1
  • CDK3/E
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Cyclin-Dependent Kinase 9 (CDK9)
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 3 (CDK3)
  • Cyclin-dependent kinase 6
  • Cyclin-dependent kinase 7
  • Cyclin-dependent kinase 9
  • Cyclin-dependent-like kinase 5
  • Glycogen synthase kinase-3
  • Interleukin-1 receptor-associated kinase 1
  • US9067888, 33
BDBM16512
PNG
012100000
  • 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)
BDBM173348
PNG
510000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • US10323032, Example 66
  • US9096596, 66
  • US9604982, Example 66
BDBM18807
PNG
015000000
  • Dihydrofolate reductase
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • 2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
  • CHEMBL400364
  • Pyrrolo[2,3-d]pyrimidine analogue, 2
BDBM18808
PNG
015000000
  • Dihydrofolate reductase
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • 2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
  • CHEMBL400485
  • Pyrrolo[2,3-d]pyrimidine analogue, 3
BDBM190665
PNG
150000000
  • Nitric Oxide Synthase, brain Mutant (D597N)
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, inducible
  • Nitric oxide synthase mutant (nNOS M336V/D597N)
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • Nitric-oxide synthase, endothelial
  • US10759791, Compound 14g
  • nNOS inhibitor, 3
BDBM190666
PNG
150000000
  • Nitric Oxide Synthase, brain Mutant (D597N)
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, inducible
  • Nitric oxide synthase mutant (nNOS M336V/D597N)
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • Nitric-oxide synthase, endothelial
  • US10759791, Compound 14h
  • nNOS inhibitor, 4
BDBM190668
PNG
150000000
  • Nitric Oxide Synthase, brain Mutant (D597N)
  • Nitric Oxide Synthase, endothelial
  • Nitric Oxide Synthase, inducible
  • Nitric oxide synthase mutant (nNOS M336V/D597N)
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • Nitric-oxide synthase, endothelial
  • US10759791, Compound 14k
  • nNOS inhibitor, 6
BDBM19151
PNG
015000000
  • Bromodomain-containing protein 4
  • Cereblon/Histone deacetylase 1
  • Cereblon/Histone deacetylase 4
  • Cereblon/Histone deacetylase 6
  • Histone Deacetylase 6 (HDAC6)
  • Histone deacetylase 1
  • Histone deacetylase 2
  • Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
  • Histone deacetylase 4
  • (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
  • Antibiotic FR 901228
  • CHEMBL343448
  • Depsipeptide
  • FK228
  • Romidepsin
BDBM191596
PNG
013200000
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP)
  • Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S))
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP)
  • Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP)
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP)
  • Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP)
  • 6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (N8)
BDBM197160
PNG
012030000
  • Isocitrate dehydrogenase [NADP] cytoplasmic
  • L-lactate dehydrogenase A chain
  • L-lactate dehydrogenase B chain
  • Lactate dehydrogenase A (LDHA)
  • Lactate dehydrogenase B (LDHB)
  • GNE-140 (6)
BDBM197287
PNG
00000000
  • SAMPL4, OA
BDBM202716
PNG
014010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 62
  • US10709712, Example 62
  • US9242969, 62
  • US9694016, 62
BDBM202770
PNG
014010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 117
  • US10709712, Example 117
  • US9242969, 117
  • US9694016, 117
BDBM202787
PNG
014010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 134
  • US10709712, Example 134
  • US9242969, 134
  • US9694016, 134
BDBM202791
PNG
014010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 138
  • US10709712, Example 138
  • US9242969, 138
  • US9694016, 138
BDBM202798
PNG
014010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 145
  • US10709712, Example 145
  • US9242969, 145
  • US9694016, 145
BDBM207556
PNG
015000000
  • B-RAF V600E
  • Poly [ADP-ribose] polymerase 1
  • Poly [ADP-ribose] polymerase 2
  • Poly [ADP-ribose] polymerase 3 (PARP-3)
  • Poly [ADP-ribose] polymerase tankyrase-2
  • Protein mono-ADP-ribosyltransferase PARP3
  • TPoly [ADP-ribose] polymerase tankyrase-2
  • US10501467, Example 2
  • US9260440, 1
  • US9617273, Example 1
BDBM21691
PNG
015000000
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 3A
  • DNA Gyrase
  • DNA Topoisomerase IV
  • DNA gyrase subunit A
  • DNA gyrase subunit B
  • DNA topoisomerase II
  • Multidrug resistance-associated protein 4
  • 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  • Nalidixic Acid
  • Nalidixin
  • NegGram
  • Nevigramon
  • US9138393, Nalidixic acid
  • US9144538, Nalidixic acid
BDBM21725
PNG
590100
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