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Compounds Sorted by Binding Data per Compound

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108   109   110   111   112   113   114   115   116   118   119   121   122   123   124   125   126   127   128   130   131   
133   137   138   139   140   141   142   143   144   146   147   148   150   152   153   154   156   157   158   159   160   
162   163   164   165   168   169   171   172   173   174   177   183   185   186   188   190   196   198   199   203   206   
207   208   213   215   216   219   224   225   227   230   233   237   246   249   261   262   263   277   285   297   299   
303   308   311   317   326   330   333   335   336   337   344   359   360   379   389   391   413   442   443   444   445   
446   447   448   450   453   454   456   460   461   462   464   465   467   469   471   482   496   511   516   517   518   
529   531   539   559   571   583   790   804   818   821   824   831   839   841   848   849   851   853   859   869   876   
880   913   922   923   931   938   966   975   990   1015   1016   1018   1027   1058   1096   1125   1196   1381   1438   1490   1608   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Enz. Inhib. DataITC DataBinding TargetsAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM10015
PNG
114000000
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 19A1
  • Multidrug resistance-associated protein 4
  • Uridine-5'-diphosphoglucuronosyltransferase 1A4
  • 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
  • 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile
  • ANASTROZOLE
  • CHEMBL1399
  • NSC719344
  • arimidex
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 I
  • TGF-beta receptor type II
  • 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)
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
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
BDBM14459
PNG
014010000
  • Geranylgeranyl Transferase (GGTase-I)
  • P-glycoprotein 1
  • Protein Farnesyltransferase (PFT)
  • Protein Farnesyltransferase (PFT) Chain B
  • Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit
  • (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(R)-yl)-1-piperidin-yl]-2-oxo-ethyl]-1-piperidinecarboxamide
  • 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide
  • CHEMBL298734
  • Lonafarnib
  • SCH 66336
  • Sarasar
BDBM158155
PNG
015000000
  • ALK tyrosine kinase receptor
  • Aurora kinase A
  • 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
  • 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
BDBM164883
PNG
015000000
  • CDK2/Cyclin A1
  • CDK3/E
  • CDK7/Cyclin H/MNAT1
  • 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 9
  • Glycogen synthase kinase-3
  • Glycogen synthase kinase-3 beta
  • Interleukin-1 receptor-associated kinase 1
  • US9067888, 33
BDBM179874
PNG
55050000
  • Cannabinoid receptor 1/Mu-type opioid receptor
  • US10231963, Table B.18
  • US10287250, Compound B.3
  • US9133125, Table B, Compound 2
  • US9656961, Example 00135
BDBM18134
PNG
41000000
  • Glycerol kinase
  • Heat Shock Protein 90 (Hsp90)
  • S-adenosylmethionine synthetase (MAT 1 and MAT 2)
  • 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}amino)phosphonic acid
  • 5-Adenylyl imidodiphosphate
  • AMP.P[NH]P
  • AMPPNP
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
BDBM191602
PNG
013200000
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 5A
  • Lysine-specific demethylase 5A (KDM5A(1-1090)-Flag)
  • Lysine-specific demethylase 5A (KDM5A(1-588)ΔAP)
  • Lysine-specific demethylase 5A (KDM5A(1-739)ΔAP(2C-2S))
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5B (KDM5B(1-604)ΔAP)
  • Lysine-specific demethylase 5B (KDM5B(1-755)ΔAP)
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C(1-789)ΔAP)
  • Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)
  • 3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid (N12)
  • US10040779, Example 52
  • US9617242, Example 52
BDBM197287
PNG
00000000
  • SAMPL4, OA
BDBM207629
PNG
015000000
  • Histone deacetylase 1
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 3/Nuclear receptor corepressor 2
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Leukotriene A4 hydrolase
  • US9265734, R01
  • US9796664, Compound R01
BDBM207991
PNG
150000000
  • Acyl-protein thioesterase 1
  • Acyl-protein thioesterase 1 (APT1 I75L)
  • Acyl-protein thioesterase 1 (APT1 I75L/S82A)
  • Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P)
  • Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P/R149H/A150R/S151A)
  • Acyl-protein thioesterase 1 (APT1 L176M)
  • Acyl-protein thioesterase 1 (APT1 Q83P)
  • Acyl-protein thioesterase 2
  • Acyl-protein thioesterase 2 (APT2 H152R)
  • Acyl-protein thioesterase 2 (APT2 L78I)
  • Acyl-protein thioesterase 2 (APT2 L78I/A85S)
  • Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q)
  • Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q/H152R/R153A/A154S)
  • Acyl-protein thioesterase 2 (APT2 M178L)
  • Acyl-protein thioesterase 2 (APT2 P86Q)
  • ML348
BDBM21367
PNG
140010000
  • 5-Hydroxytryptamine receptor 7 (5-HT7)
  • 5-hydroxytryptamine receptor 1A (5-HT1A)
  • D(2) dopamine receptor
  • Serotonin (5-HT) receptor
  • 6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
  • CHEMBL225284
  • LP-44
  • Piperazinehexanamide derivative, 5
BDBM21725
PNG
59010000
  • Androgen Receptor
  • Bile acid receptor
  • Glucocorticoid receptor
  • Mineralocorticoid receptor
  • Pregnane X receptor (PXR)
  • 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
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
BDBM246125
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 32
  • US9434690, 30
  • US9434690, 31
  • US9434690, 32
  • US9822102, Example 32
BDBM246130
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 37
  • US9434690, 35
  • US9434690, 36
  • US9434690, 37
  • US9822102, Example 37
BDBM246140
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 47
  • US9434690, 45
  • US9434690, 46
  • US9434690, 47
  • US9822102, Example 47
BDBM246150
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 57
  • US9434690, 55
  • US9434690, 56
  • US9434690, 57
  • US9822102, Example 57
BDBM246158
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 65
  • US9434690, 63
  • US9434690, 64
  • US9434690, 65
  • US9822102, Example 65
BDBM246171
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 78
  • US9434690, 76
  • US9434690, 77
  • US9434690, 78
  • US9822102, Example 78
BDBM246174
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 81
  • US9434690, 79
  • US9434690, 80
  • US9434690, 81
  • US9822102, Example 81
BDBM246179
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 86
  • US9434690, 84
  • US9434690, 85
  • US9434690, 86
  • US9822102, Example 86
BDBM246189
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 96
  • US9434690, 94
  • US9434690, 95
  • US9434690, 96
  • US9822102, Example 96
BDBM246208
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 115
  • US9434690, 113
  • US9434690, 114
  • US9434690, 115
  • US9822102, Example 115
BDBM246231
PNG
015000000
  • Coagulation factor XI
  • Plasma kallikrein
  • US10183932, Example 138
  • US9434690, 136
  • US9434690, 137
  • US9434690, 138
  • US9822102, Example 138
BDBM246246
PNG
0150000
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