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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   
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
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)
  • Bone morphogenetic protein receptor type-2
  • Serine/threonine-protein kinase receptor R3
  • TGF-beta receptor type II
  • TGF-beta receptor type-1
  • LDN-212854
BDBM104963
PNG
013200000
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase kinase kinase 8
  • Serine/threonine-protein kinase B-raf
  • CHEMBL507361
  • US8575391, Q
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)
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
BDBM12311
PNG
312000000
  • Cathepsin (B and K)
  • Cathepsin F
  • Cathepsin K
  • Cathepsin L1
  • Cathepsin S
  • Cathepsin V
  • Chymase
  • Elastase 1
  • HCV NS3-NS4A Serine Proteinase
  • Leukocyte elastase
  • Nonstructural protein NS3-4A
  • Plasminogen
  • (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide
  • 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide
  • BOCEPREVIR
  • SCH 503034
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
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
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
  • SRC
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase ITK/TSK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • 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
BDBM179874
PNG
55050000
  • Mu-type opioid receptor
  • US10231963, Table B.18
  • US10287250, Compound B.3
  • US9133125, Table B, Compound 2
  • US9656961, Example 00135
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
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
  • 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
BDBM197287
PNG
00000000
  • SAMPL4, OA
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
BDBM21725
PNG
59010000
  • Androgen Receptor
  • Bile acid receptor
  • Glucocorticoid receptor
  • Mineralocorticoid receptor
  • Nuclear receptor subfamily 1 group I member 2
  • Progesterone receptor
  • (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione
  • Guggulsterone
BDBM225520
PNG
015000000
  • SYK Kinase
  • GTC000228A
  • GTC000228B
  • GTC000228C
BDBM22728
PNG
132000000
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Carboxylesterase 1
  • Carboxylesterase 2
  • Cholinesterases
  • Factor XIIa
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
  • 2-hydroxy-1,2-diphenylethan-1-one
  • Benzoin
  • CHEMBL190677
BDBM22794
PNG
95010000
  • Acyl-CoA: cholesterol acyltransferase (ACAT)
  • Aldehyde dehydrogenase 1A1 (ALDH1A1)
  • Aldehyde dehydrogenase 3A1 (ALDH3A1)
  • Aldehyde dehydrogenase, mitochondrial
  • Carboxylesterase 1
  • Cholinesterases
  • Factor XIIa
  • Muscarinic acetylcholine receptor M1
  • 1-benzyl-2,3-dihydro-1H-indole-2,3-dione
  • Isatin-based compound, 14
BDBM22873
PNG
114000000
  • 15-Lipoxygenase (LoxA)
  • 5-hydroxytryptamine receptor 1A
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • D(2) dopamine receptor
  • Histamine H1 receptor
  • Histamine H4 receptor
  • Multidrug resistance-associated protein 4
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • P-glycoprotein 1
  • Potassium voltage-gated channel subfamily H member 2
  • Replicase polyprotein 1ab
  • 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one
  • Bactil
  • CHEMBL305660
  • Ebastine
  • Kestine
  • NCGC00164603
BDBM231694
PNG
015000000
  • Dual-specificity phosphatase 5 phophatase (DUSP5)
  • 1-Amin-5-Naphthol-7-Sulfonic acid
  • NCI2602
  • RR535
BDBM23274
PNG
510000000
  • Botulinum Neurotoxin Type A
  • Botulinum neurotoxin type A
  • (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide
  • BMC173072 Compound 2
  • BMCL176463 Compound 2
  • Cinnamic hydroxamate deriv., 18
BDBM2337
PNG
010040000
  • HIV-1 Reverse Transcriptase
  • Human immunodeficiency virus type 1 reverse transcriptase
  • Reverse transcriptase
  • Reverse transcriptase (HIV-1 RT)(1-350)
  • 6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • CHEMBL35033
  • Coactinon
  • Emivirine
  • Emivirine (EMV)
  • HEPT deriv.
  • I-EBU
  • MKC-442
BDBM23617
PNG
96000000
  • Adenosine kinase
  • Adenosine receptor A3
  • Equilibrative Nucleoside Transporter 1 (ENT1)
  • Multidrug resistance-associated protein 4
  • Solute carrier family 28 member 3
  • (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol
  • 4-nitrobenzylmercaptopurine ribonucleoside
  • CHEMBL418509
  • NBMPR
  • NBTI
  • Nitrobenzylthioinosine
BDBM23928
PNG
310020000
  • Aryl Hydrocarbon Receptor (AhR)
  • Aryl hydrocarbon receptor
  • Bcr-Abl
  • Cyclooxygenase
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 1B1
  • Estrogen receptor
  • P-glycoprotein 1
  • Prostaglandin G/H synthase (cyclooxygenase)
  • Protein kinase C alpha type
  • Ribosyldihydronicotinamide dehydrogenase [quinone]
  • Transient receptor potential cation channel subfamily A member 1
  • Transient receptor potential cation channel subfamily V member 1
  • 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
  • CHEMBL296411
  • trans-Stilbene Derivative, 4a
BDBM243410
PNG
015000000
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • N-(4,4- difluorocyclohexyl)- 5-((1R,2R)-2- (tetrahydro-2H- pyran-4-ylamino)- cyclopropyl)thio- phene-3-carboxamide
  • US10053456, 44
  • US10414761, Example 44
  • US9718814, 44
  • US9920047, 44
BDBM243413
PNG
015000000
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • 5-((1R,2R)-2-((4,4- difluorocyclohexyl)- amino)cyclopropyl)- N-(tetrahydro-2H- pyran-4- yl)thiophene-3- carboxamide
  • US10053456, 47
  • US10414761, Example 47
  • US9718814, 47
  • US9920047, 47
BDBM243414
PNG
015000000
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • 5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amino)- cyclopropyl)-N-(5- methyl-1,3,4- thiadiazol-2-yl)thiophene-3-carboxamide
  • US10053456, 48
  • US10414761, Example 48
  • US9718814, 48
  • US9920047, 48
BDBM243415
PNG
015000000
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2- (tetrahydro-2H- pyran-4-ylamino)- cyclopropyl)thio- phene-3-carboxamide
  • US10053456, 49
  • US10414761, Example 49
  • US9718814, 49
  • US9920047, 49
BDBM243416
PNG
015000000
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • Lysine-specific histone demethylase 1A
  • N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- (tetrahydro-2H- pyran-4-ylamino)- cyclopropyl)thio- phene-3-carboxamide
  • US10053456, 50
  • US10414761, Example 50
  • US9718814, 50
  • US9920047, 50
BDBM243417
PNG
0150000
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