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Compounds Sorted by Binding Targets per Compound

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64   65   66   67   68   69   70   73   74   75   76   77   79   81   84   86   89   95   96   100   108   
109   120   124   130   137   143   154   156   168   186   224   237   259   276   278   284   303   304   310   314   323   
339   369   370   371   372   373   374   375   376   377   378   380   381   383   384   385   386   387   388   389   391   
393   394   395   397   401   402   405   407   417   418   427   428   442   445   512   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Binding TargetsEnz. Inhib. DataITC DataAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM100259
PNG
  • Alpha trans-inducing protein (VP16)
  • COUP transcription factor 2 isoform a
  • Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)
  • Disintegrin and metalloproteinase domain-containing protein 17
04000000
  • 2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-3-[(E)-3-(4-nitrophenyl)acryloyl]cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one
  • 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
  • MLS002701851
  • SMR001565443
  • cid_6302331
BDBM100348
PNG
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase SYK
021800000
  • US10533001, Example Table 9a.1
  • US8501944, 370
  • US8501944, 374
  • US9868729, Example 38
BDBM100350
PNG
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase SYK
0141800000
  • US10533001, Example 99
  • US8501944, 372
  • US8501944, 375
  • US9868729, Example 99
BDBM100351
PNG
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase SYK
021800000
  • US10533001, Example Table 9a.4
  • US8501944, 373
  • US8501944, 376
  • US9868729, Example 254
BDBM100423
PNG
  • EBifunctional epoxide hydrolase 2
  • Epoxide hydrolase
  • Epoxide hydrolase 1
  • Soluble Epoxide Hydrolase
16000000
  • US10383835, Compound 1153
  • US8501783, 1153
BDBM10145
PNG
  • Beta-secretase 1
  • Beta-secretase 2
  • Cathepsin D
  • HIV-1 Protease
04000000
  • lysine sulfonamide analogue 9
  • methyl N-[(1S)-1-{[(5R)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]carbamoyl}-2-phenylethyl]-N-methylcarbamate
  • sulfonamide tricyclic analogue, 9
BDBM10246
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
322000001
  • (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid
  • Ac-DEVD-CHO
  • CHEMBL417149
BDBM103736
PNG
  • JAK1 (aa 850-1154)
  • JAK2 (aa 808-1132)
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
04000000
  • US10206907, Compound 207
  • US8563545, 10
BDBM103908
PNG
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 8
04000000
  • JNK3 inhibitor 5
  • US8562945, 241
BDBM103909
PNG
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 8
04000000
  • JNK3 inhibitor 6
  • US8562945, 242
BDBM103910
PNG
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
  • Mitogen-activated protein kinase 10
  • Mitogen-activated protein kinase 8
04000000
  • JNK3 inhibitor 7
  • US8562945, 243
BDBM104020
PNG
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase
  • Aldose reductase (AR)
  • Methylated AKR1B10 K125R/V301L (AKME2MU)
06000000
  • MK181
BDBM104066
PNG
  • Death-associated protein kinase 1
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
00600000
  • HS43
BDBM104101
PNG
  • HIV-1 protease
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
40000000
  • MIT-2-AD-93 (AD-93)
BDBM104110
PNG
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
40000000
  • 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl](2- methylbutyl)amino]-1-(phenylmethyl)propyl]-benzamide (AF-80)
BDBM10443
PNG
  • Acetylcholinesterase
  • Carboxylic ester hydrolase
  • Neutrophil cytosol factor 1
  • Pteridine reductase 1
13100000
  • 2-methylquinolin-4-amine
  • 4-Aminoquinaldine 4
BDBM104689
PNG
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
42000000
  • US8569311, A-9
BDBM104692
PNG
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
124000000
  • US8569311, E-5
BDBM10527
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
013000000
  • (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
BDBM10528
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)propanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 7
BDBM10529
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pentanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 8
BDBM10530
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-phenylpropanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 9
BDBM10531
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 10
BDBM10532
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-{[1-(5-bromo-2-methoxyphenyl)cyclopropyl]formamido}-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 11
BDBM10533
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-enamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 12
BDBM10534
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 13
BDBM10535
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 14
BDBM10536
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
08000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phenylacetamido)butanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 15
  • valine aspartyl ketone analog 9
BDBM10537
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 16
BDBM10538
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 17
BDBM10539
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 18
BDBM10540
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 19
BDBM10541
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-methoxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 20
BDBM10542
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-phenylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 21
BDBM10543
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2,2-diphenylacetamido)-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 22
BDBM10544
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-ethyl-2-hydroxybutanamido)-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 23
BDBM10545
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-methylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 24
BDBM10546
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclopropyl)formamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 25
BDBM10547
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamido]butanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 26
BDBM10548
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
08000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 27
  • valine aspartyl ketone analog 1
BDBM10549
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000000
  • (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid
  • valine aspartyl ketone 28
BDBM10551
PNG
  • Caspase-1
  • Caspase-3
  • Caspase-7
  • Caspase-8
04000
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