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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   
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
BDBM10527
PNG
013000000
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • BROMOMETHOXYPHENYL INHIBITOR
  • valine aspartyl ketone 29
  • valine aspartyl ketone 6
  • valine aspartyl ketone analog 10
BDBM106699
PNG
013000000
  • 5-hydroxytryptamine 1D receptor (5HT1D)
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Nitric oxide synthase, brain
  • Nitric oxide synthase, endothelial (eNOS)
  • Nitric oxide synthase, inducible
  • Nitric-oxide synthase, brain
  • CHEMBL1957350
  • US8586620, 46
BDBM10750
PNG
211000000
  • Acetylcholinesterase
  • Amine oxidase [flavin-containing] A
  • Amine oxidase [flavin-containing] B
  • Butyrylcholinesterase (BChE)
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • (3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate hydrochloride
  • Aminoindan deriv. (R)18b
  • Aminoindan deriv. (R)18b.HCl
  • N-propargylaminoindan (R)18b.HCl
  • R-CPAI
BDBM10853
PNG
15700000
  • Chitinase
  • Chitinase (chiA1)
  • Chitinase Mutant (A217G)
  • Chitinase Mutant (D175A)
  • Chitinase Mutant (E322A)
  • Chitinase Mutant (M243A)
  • Chitinase Mutant (R301K)
  • Chitinase Mutant (T138A)
  • (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
  • Argifin
BDBM11331
PNG
112000000
  • Bone morphogenetic protein 1
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase
  • Collagenase (ChC)
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase-1 (MMP1)
  • Stromelysin-1
  • 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
  • CGS 27023A Analog 22
  • Hydroxamate 12
BDBM11337
PNG
112000000
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Collagenase
  • Collagenase (ChC)
  • Matrix Metalloproteinase-8 (MMP-8)
  • Matrix metalloproteinase 12
  • Matrix metalloproteinase-1 (MMP1)
  • Stromelysin-1
  • 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
  • CHEMBL316169
  • Hydroxamate 18
BDBM11548
PNG
112000000
  • ADAM17
  • Collagenase
  • Matrix metalloproteinase-1 (MMP1)
  • CHEMBL100570
  • N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)methyl]isothiazolidine-3-carboxamide 1,1-dioxide
  • N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1,2-thiazolidine-3-carboxamide
  • Sultam Hydroxamate 15a
BDBM12028
PNG
211000000
  • CDK2/CycE
  • CDK2/Cyclin A/Cyclin A1
  • CDK7/Cyclin H/MNAT1
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 2 (CDK2)
  • Cyclin-Dependent Kinase 4 (CDK4)
  • Cyclin-Dependent Kinase 7 (CDK7)
  • Cyclin-Dependent Kinase 9 (CDK9)
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 4
  • Cyclin-dependent kinase 9
  • 4-Arylazo-3,5-diamino-1H-pyrazole 31b
  • 4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol
  • CAN508
BDBM12075
PNG
112000000
  • Collagenase
  • Matrix metalloproteinase-1 (MMP1)
  • Matrix metalloproteinase-14 (MMP14)
  • Matrix metalloproteinase-7 (MMP7)
  • Stromelysin-1
  • (2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-methylbutanoic acid
  • CHEMBL43152
  • alpha-arylsulfonylamino carboxylate 2S
BDBM123327
PNG
45400000
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Orexin receptor type 1
  • Orexin receptor type 2
  • Voltage-gated potassium channel
  • US8742106, 1.6
BDBM12352
PNG
310000000
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(1-methyl-1H-imidazol-4-yl)pyridine
  • CHEMBL360999
  • US8609708, 5
  • cid_11344157
  • nicotine 3-heteroaromatic analogue 5
BDBM12356
PNG
310000000
  • Alkaline phosphatase, tissue-nonspecific isozyme
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(2-methyl-1H-imidazol-1-yl)pyridine
  • CHEMBL368883
  • US8609708,13
  • cid_16654686
  • nicotine 3-heteroaromatic analogue 9
BDBM12358
PNG
310000000
  • Cytochrome P450 2A6
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 2E1
  • Cytochrome P450 3A
  • 3-(4-methylthiophen-3-yl)pyridine
  • CHEMBL179704
  • US8609708, 17
  • US8609708,17
  • nicotine 3-heteroaromatic analogue 11
BDBM12577
PNG
38000000
  • Farnesyl Diphosphate Synthase (FPPS)
  • Farnesyl diphosphate synthase
  • Geranylgeranyl Diphosphate Synthase (GGPPS)
  • Squalene synthetase
  • Bisphosphonate 2
  • CHEMBL997
  • JMC515594 Compound 53
  • {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
BDBM13054
PNG
130000000
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide
  • Dorzolamide, DZA
  • sulfonamide 5
BDBM13075
PNG
013000000
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • 2,4-dichloro-5-sulfamoylbenzoic acid
  • 2000-01951
  • Lasamide (Hsba)
  • LeadQuest Compound 9
BDBM13280
PNG
130000000
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin II
  • Trypsin-1
  • Vitamin K-dependent protein C
  • 3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide
  • CHEMBL327600
  • Sulfonamidopyrrolidinone 3a
BDBM14047
PNG
013000000
  • Cyclin-dependent kinase 2
  • Glycogen synthase kinase-3
  • Inhibitor of NF-kappa-B kinase (IKK)
  • Mitogen-activated protein kinase 10
  • RAC-alpha serine/threonine-protein kinase AKT1
  • Rho-associated protein kinase 1
  • Rho-associated protein kinase 2
  • Ribosomal protein S6 kinase alpha 1
  • Ribosomal protein S6 kinase alpha 5
  • Serine/threonine-protein kinase AKT
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase PLK1
  • Aminofurazanyl-azabenzimidazole 6n
  • N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide
BDBM14150
PNG
130000000
  • Coagulation factor X
  • Plasminogen
  • Prothrombin
  • Tissue-type plasminogen activator
  • Trypsin
  • Trypsin-1
  • Urokinase (uPA) Mutant (S190A)
  • Urokinase-type plasminogen activator
  • APC-11417
  • CA-12
  • CRA-11417
  • {amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
BDBM142019
PNG
013000000
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
  • Glycogen synthase kinase-3
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase SYK
  • Voltage-gated potassium channel
  • US8927563, I
  • US9481648, 16
BDBM14773
PNG
211000000
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
  • Phosphodiesterase 4
  • Phosphodiesterase 8
  • Phosphodiesterase Type 10 (PDE10A)
  • Phosphodiesterase Type 11 (PDE11A)
  • Phosphodiesterase Type 2 (PDE2A)
  • Phosphodiesterase Type 3 (PDE3B)
  • Phosphodiesterase Type 4 (PDE4B)
  • Phosphodiesterase Type 4 (PDE4D)
  • Phosphodiesterase Type 5 (PDE5A)
  • Phosphodiesterase Type 7 (PDE7B)
  • Phosphodiesterase Type 9 (PDE9A)
  • 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid
  • 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid
  • Ariflo
  • Cilomilast
  • SB207499
BDBM148176
PNG
013000000
  • Beta-secretase 1
  • Beta-secretase 2
  • Cathepsin D
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Voltage-gated potassium channel
  • US8962616, 22
  • US8962616, 4
BDBM15148
PNG
013000000
  • RAC-alpha serine/threonine-protein kinase AKT1
  • Serine/threonine-protein kinase AKT
  • Serine/threonine-protein kinase AKT2
  • Serine/threonine-protein kinase Sgk1
  • 2,3-diphenylquinoxaline 1
  • 2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine
BDBM15222
PNG
130000000
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • 4-Azidobenzenesulfonamide
  • 4-azidobenzene-1-sulfonamide
  • CHEMBL222837
  • azide 1
BDBM155255
PNG
013000000
  • Cytochrome P450 1A
  • Cytochrome P450 1A1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 2D6 (2D6)
  • H3K27me2
  • H3K27me3
  • Histone-lysine N-methyltransferase EZH2
  • US10098888, Compound 105
  • US9006242, 105
BDBM160075
PNG
49000000
  • Cytochrome P450 2C19
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • Voltage-gated potassium channel
  • US10047092, 16
  • US9040534, 16
BDBM160130
PNG
58000000
  • P2X purinoceptor 7
  • P2X purinoceptor 7 (P2X7)
  • P2X7 rat
  • US10047092, 72
  • US10053463, 72
  • US9040534, 71
  • US9040534, 72
BDBM162872
PNG
013000000
  • 1,3-beta-glucan synthase component GLS2
  • ATP-sensitive inward rectifier potassium channel 1
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Inward rectifier potassium channel 2
  • Inward rectifier potassium channel 4
  • Renal Outer Medullary Potassium (ROMK)
  • Voltage-gated calcium channel
  • Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)
  • US9056859, 72
BDBM16294
PNG
103000000
  • Enoyl-ACP Reductase (FabI)
  • Enoyl-ACP Reductase (InhA)
  • Enoyl-ACP reductase (FabI1)
  • Enoyl-ACP reductase (Wt ypFabV)
  • Enoyl-ACP reductase T276S (T276S ypFabV)
  • Enoyl-[acyl-carrier-protein] reductase [NADH] (ftuFabl)
  • 2PP
  • 5-Ethyl-2-phenoxy-phenol
  • 5-butyl-2-phenoxylphenol
  • 5-ethyl-2-phenoxyphenol
  • AIDS227443
  • PT01
  • US10071965, Compound PT04
BDBM16316
PNG
112000000
  • Inhibitor of NF-kappa-B kinase (IKK)
  • MAP kinase p38
  • MAP kinase-activated protein kinase 2
  • Mitogen-activated protein kinase 14
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Vascular endothelial growth factor receptor 2
  • cAMP-dependent protein kinase (PKA)
  • 3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl}amino)-N-methoxy-4-methylbenzamide
  • CHEMBL225088
  • triaminotriazine aniline amide inhibitor, 1
BDBM164075
PNG
130000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 205
  • US9475819, 205
  • US9695183, 205
  • US9695183, 230
BDBM164077
PNG
130000000
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 207
  • US9475819, 207
  • US9695183, 207
  • US9695183, 229
BDBM170440
PNG
67000000
  • Cytochrome P450 2D6 (2D6)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • US9085531, 40
BDBM17060
PNG
013000000
  • MAP kinase p38
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase 3
  • Non-receptor tyrosine-protein kinase TYK2
  • Proto-oncogene tyrosine-protein kinase Src
  • SRC
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinazolin-2-one
  • CHEMBL319556
  • Dihydro-quinazolinone analog, 9
BDBM17448
PNG
211000000
  • Indoleamine 2,3-dioxygenase 1
  • Methionine aminopeptidase 2
  • Tryptophan 2,3-dioxygenase
  • 1,2,3-triazole analogue, 4
  • 5-phenyl-1H-1,2,3-triazole
BDBM17744
PNG
013000000
  • Fibroblast growth factor receptor 1
  • Hepatocyte growth factor receptor
  • Insulin-like growth factor I receptor
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 14
  • Proto-oncogene tyrosine-protein kinase Src
  • Tyrosine-protein kinase BTK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase ZAP-70
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
  • 2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate
  • 2-aminopyrimidine carbamate, 43
BDBM18361
PNG
112000000
  • β-galactosidase
  • Acidic alpha-glucosidase
  • Glucosylceramidase
  • Lactase-glycosylceramidase
  • Trehalase
  • Uncharacterized protein
  • alpha-Glucosidase (α-Glucosidase)
  • alpha-Glucosidase (alpha-Glu)
  • (2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol
  • alpha-1-C-Butyl-DNJ
BDBM18510
PNG
013000000
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • 5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid
  • CHEMBL37520
  • Diaminopyrimidine, 22
BDBM186927
PNG
130000000
  • 5-hydroxytryptamine receptor 1A (5HT1A)
  • 5-hydroxytryptamine receptor 1D (5HT1D)
  • 5-hydroxytryptamine receptor 2A (5HT2A)
  • 5-hydroxytryptamine receptor 2B (5HT2B)
  • 5-hydroxytryptamine receptor 2C (5HT2C)
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Alpha-1A adrenergic receptor
  • Alpha-1B adrenergic receptor
  • Alpha-1D adrenergic receptor
  • Dopamine D1 receptor
  • Dopamine D2 receptor
  • Dopamine D3 receptor
  • Dopamine D4 receptor
  • US9079895, 19s
BDBM18763
PNG
130000000
  • Dihydrofolate reductase
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • Thymidylate synthase (TS)
  • 1,8-naphthalein derivative, 10
  • 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one
  • A15
  • A156
  • Alpha 156
  • CHEMBL67116
BDBM18778
PNG
103000000
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
  • Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
  • CHEMBL22405
  • P16
  • methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate
BDBM18783
PNG
1030000
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