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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
BDBM104963
PNG
015200000
  • 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
  • Dual specificity mitogen-activated protein kinase kinase; MEK1/2
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase kinase kinase 8
  • Serine/threonine-protein kinase B-raf
  • CHEMBL507361
  • US8575391, Q
BDBM120095
PNG
015200000
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • MAP kinase ERK1
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 3
  • Mitogen-activated protein kinase; ERK1/ERK2
  • US10525036, Example GDC-0994
  • US8697715, 39
  • US9259470, 39
BDBM13775
PNG
39320000
  • Androgen receptor
  • Bile salt export pump
  • Corticosteroid-binding globulin
  • Cytochrome P450 2J2
  • Cytochrome P450 3A
  • Glucocorticoid
  • Glucocorticoid receptor
  • Mineralocorticoid receptor
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Rho GTPase-activating protein 35
  • Testis-specific androgen-binding protein
  • (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
  • 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
  • 3H-cortisol
  • HYDROCORTISONE
  • US10188667, Example 00023
  • [3H]cortisol
  • cortisol
BDBM144227
PNG
710000000
  • 1,3-beta-glucan synthase component GLS2
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • GABA A receptor alpha-2/beta-2/gamma-2
  • GABA receptor alpha-1/beta-3/gamma-2 subunit
  • GABA receptor alpha-3/beta-3/gamma-2 subunit
  • GABA receptor alpha-5/beta-3/gamma-2 subunit
  • Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
  • Neurokinin 2 receptor
  • Sodium channel protein type 5 subunit alpha
  • US8952008, 4
BDBM14949
PNG
017000000
  • Angiopoietin-1 receptor
  • Lck
  • Mitogen-activated protein kinase 14
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Vascular endothelial growth factor receptor 2
  • 2-aminoquinazoline 5
  • 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
  • CHEMBL385937
  • JMC511681 Compound 34
BDBM164713
PNG
017000000
  • Tyrosine-protein kinase BTK
  • US10604504, Example 95
  • US9688629, 153
  • US9688629, 154
  • US9802915, Example 199
  • US9920031, Example 199
BDBM16596
PNG
017000000
  • Collagenase 3
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • 4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
  • CHEMBL514794
  • MMP Inhibitor, 4
  • N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
  • Pyrimidine Dicarboxamide Inhibitor, 4
BDBM17015
PNG
015200000
  • 3-phosphoinositide dependent protein kinase-1
  • 6His.FMS.538-922(FGFR)
  • ALK tyrosine kinase receptor
  • Epidermal growth factor receptor
  • Insulin-like growth factor I receptor
  • Macrophage colony-stimulating factor 1 receptor (aa 538-972)
  • Platelet-derived growth factor receptor beta
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase 17B (STK17B)
  • Serine/threonine-protein kinase SRPK1
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • cFMS -Tie-2 Chimera
  • (3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
  • CHEMBL86755
  • Indolinone based inhibitor, 1
  • Oxindole I
BDBM17665
PNG
020150000
  • HIV-1 Reverse Transcriptase
  • Human immunodeficiency virus type 1 reverse transcriptase
  • 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methyl-1H-1,3-benzodiazole
  • CHEMBL293961
  • benzimidazole analogue, 1
BDBM179873
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.17
  • US10287250, Compound B.1
  • US10736890, Compound TABLE B.17
  • US10752592, Compound TABLE B.1
  • US9133125, Table B, Compound 1
  • US9656961, Example 00134
BDBM179876
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.22
  • US10287250, Compound B.4
  • US10736890, Compound TABLE B.22
  • US10752592, Compound TABLE B.4
  • US9133125, Table B, Compound 4
  • US9656961, Example 00139
BDBM179878
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.24
  • US10287250, Compound B.6
  • US10736890, Compound TABLE B.24
  • US10752592, Compound TABLE B.6
  • US9133125, Table B, Compound 6
  • US9656961, Example 00141
BDBM179879
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.25
  • US10287250, Compound B.7
  • US10736890, Compound TABLE B.25
  • US10752592, Compound TABLE B.7
  • US9133125, Table B, Compound 7
  • US9656961, Example 00142
BDBM179880
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.26
  • US10287250, Compound B.8
  • US10736890, Compound TABLE B.26
  • US10752592, Compound TABLE B.8
  • US9133125, Table B, Compound 8
  • US9656961, Example 00143
BDBM179881
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table B.27
  • US10287250, Compound B.9
  • US10736890, Compound TABLE B.27
  • US10752592, Compound TABLE B.9
  • US9133125, Table B, Compound 9
  • US9656961, Example 00144
BDBM179901
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table C.5
  • US10287250, Compound 14
  • US10736890, Compound TABLE C.5
  • US10752592, Compound TABLE D.5
  • US9133125, Table D, Compound 14
  • US9656961, Example 00169
BDBM179902
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table C.6
  • US10287250, Compound D.6
  • US10736890, Compound TABLE C.6
  • US10752592, Compound TABLE D.6
  • US9133125, Table D, Compound 6
  • US9656961, Example 00170
BDBM179903
PNG
66050000
  • Mu-type opioid receptor
  • US10231963, Table C.7
  • US10287250, Compound D.7
  • US10736890, Compound TABLE C.7
  • US10752592, Compound TABLE D.7
  • US9133125, Table D, Compound 7
  • US9656961, Example 00171
BDBM18125
PNG
58130000
  • Excitatory amino acid transporter 1
  • Excitatory amino acid transporter 2
  • Excitatory amino acid transporter 3
  • Excitatory amino acid transporter 4
  • GRIA3
  • Glutamate receptor ionotropic, NMDA 1
  • Glutamate transporter homolog
  • Glycosylasparaginase (GA)
  • Metabotropic glutamate receptor 1
  • Metabotropic glutamate receptor 2
  • Metabotropic glutamate receptor 6
  • (2S)-2-aminobutanedioic acid
  • Aspartate
  • CHEMBL274323
  • L-Aspartate
  • L-Aspartic acid, 2
  • L-[14C]aspartate
BDBM18786
PNG
107000000
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
  • CHEMBL21921
  • P31
BDBM18787
PNG
107000000
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
  • CHEMBL22403
  • P40
BDBM18790
PNG
107000000
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • Dihydrofolate reductase
  • 6-hexyl-5-phenylpyrimidine-2,4-diamine
  • CHEMBL416552
  • P39
BDBM193124
PNG
017000000
  • 3',5'-cyclic phosphodiesterase
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 10A (PDE10A2)
  • Phosphodiesterase 3 and 5 (PDE3 and PDE5)
  • Phosphodiesterase Type 10 (PDE10A)
  • US9193736, 40
BDBM195612
PNG
017000000
  • Histone Lysine Demethylase
  • Lysine-specific demethylase 3A
  • Lysine-specific demethylase 4A (KDM4A)
  • Lysine-specific demethylase 4C
  • Lysine-specific demethylase 4D
  • Lysine-specific demethylase 5A (KDM5A)
  • Lysine-specific demethylase 5B
  • Lysine-specific demethylase 5C
  • Lysine-specific demethylase 5C (KDM5C)
  • Lysine-specific demethylase 5D (KDM5D)
  • Lysine-specific demethylase 6B
  • Prolyl hydroxylase EGLN3
  • GSK467
BDBM198203
PNG
017000000
  • Non-receptor tyrosine-protein kinase TYK2
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • US9216999, 11
  • US9556187, Example 13
BDBM19854
PNG
210050000
  • Cathepsin B
  • Cathepsin K
  • Cathepsin S
  • Procathepsin L
  • CHEMBL426819
  • CRA-013783/L-006235
  • N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
  • basic piperazine-containing compound, 1
BDBM20079
PNG
413000000
  • Thymidine Phosphorylase (TP)
  • Thymidine phosphorylase
  • 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione
  • CHEMBL65375
  • Lonsurf
  • TPI
  • Tipiracil
BDBM202656
PNG
016010000
  • B-RAF V600E
  • C-RAF
  • C-Raf TR (aa 1-324)
  • RAF proto-oncogene serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase (aa 1-324)
  • RAF proto-oncogene serine/threonine-protein kinase (truncated)(325-648)
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 1
  • US10709712, Example 1
  • US9242969, 1
  • US9694016, 1
BDBM202780
PNG
016010000
  • B-RAF V600E
  • C-RAF
  • RAF proto-oncogene serine/threonine-protein kinase
  • Serine/threonine-protein kinase B-raf
  • US10245267, Example 127
  • US10709712, Example 127
  • US9242969, 127
  • US9694016, 127
BDBM20315
PNG
105020000
  • Vanilloid receptor
  • 3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfonamidophenyl)methyl]thiourea
  • CHEMBL228451
  • KJM429
  • thiourea analogue, 1
BDBM207991
PNG
170000000
  • 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
BDBM21358
PNG
86030000
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Cytochrome P450 1A
  • Cytochrome P450 2A6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • 2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulfonyl)-1H-indol-3-yl]ethan-1-amine
  • N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine
  • SAX-187
  • WAY-181187
BDBM21400
PNG
80540000
  • Apoptosis regulator Bcl-2
  • BCL-W
  • Bcl-2-like protein 1
  • Bcl-2-related protein A1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
  • Serum albumin
  • CHEMBL192571
  • N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
  • Phenylpiperidine, 1a
BDBM21680
PNG
151100000
  • Bile acid receptor
  • Bile acid receptor FXR
  • G-protein coupled bile acid receptor 1
  • Organic anion-transporting polypeptide 1D1 (Oatp1d1)
  • Phospholipase A2
  • Ubiquitin-specific peptidase 2a (USP2a)
  • Vitamin D3 receptor
  • (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
  • (R)-4-((3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
  • CGG
  • CHEMBL205596
  • CHOLBAM
  • Cholate
  • Cholic Acid
  • cholicacid
BDBM22041
PNG
88100000
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Gamma-aminobutyric acid type B receptor subunit 1
  • Peripheral-Type Benzodiazepine Receptor
  • Serum albumin
  • Translocator protein
  • 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
  • Alpidem
  • Ananxyl
  • CHEMBL54349
  • S-800342
BDBM22111
PNG
134000000
  • Adenosine Receptors A2a (A2a)
  • Adenosine receptor A1
  • Adenosine receptor A2b
  • Adenosine receptor A3
  • Catechol O-methyltransferase (MB-COMT)
  • Fatty acid synthase
  • Indolethylamine N-methyltransferase
  • Spermidine synthase
  • (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
  • (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
  • 5'-Methylthioado
  • 5-methylthioadenosine
  • CHEMBL277041
  • MTA
BDBM22113
PNG
90800000
  • 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
  • Methylthioadenosine Nucleosidase (MTAN)
  • Methylthioadenosine Nucleosidase(MTAN)
  • Methylthioadenosine Phosphorylase (MTAP)
  • (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
  • (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
  • (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7
  • DADMe-ImmA-Me
  • MT-DADMe-ImmA
BDBM22884
PNG
150110000
  • HRH3
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • 2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
  • 2-[3-(1H-imidazol-5-yl)propyl]-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
  • IMPROMIDINE
  • Impromidine
BDBM22890
PNG
97100000
  • Angiopoietin-1 receptor
  • Histamine H1 receptor
  • Histamine H4 receptor
  • Multidrug and toxin extrusion protein 1
  • Potassium voltage-gated channel subfamily H member 2
  • 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
  • CHEMBL1000
  • Cetirizine
  • Levocetirizine
BDBM23772
PNG
610010000
  • Kinesin Spindle Protein Eg5
  • Kinesin-5 motor protein (KSP)
  • Kinesin-like protein 1
  • (2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid
  • 3-Tritylthio-L-alanine
  • CHEMBL392695
  • NSC 83265
  • S-Trityl-L-Cysteine (STLC), 1
  • STLC
  • Tritylcysteine
BDBM23928
PNG
312020000
  • 5-lipoxygenase/FLAP
  • 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
BDBM246867
PNG
0170000
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