| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014341
BDB014341
|
BDBM326320
Cc1cn(C[C@H]2CC[C@H](C)CC2)c2c(-c3cncc(Cl)c3)nc(-c3noc(=O)[nH]3)nc12
|
C22H23ClN6O2 438.919000 |
PTQIQUNEJQXQLV-MQMHXKEQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326320
|
Local ready
Direct docking supported
|
|
E3L014342
BDB014342
|
BDBM326321
C[C@H]1CC[C@H](Cn2cc(-c3ccccc3)c3nc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
|
C26H25ClN4O2 460.965000 |
MSZNHPCBJRXSPX-QAQDUYKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326321
|
Local ready
Direct docking supported
|
|
E3L014343
BDB014343
|
BDBM326322
C[C@H]1CC[C@H](Cn2cc(Cc3ccccc3)c3nc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1
|
C28H27ClN6O2 515.017000 |
UKZGKCZVLKSFIZ-UAPYVXQJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326322
|
Local ready
Direct docking supported
|
|
E3L014344
BDB014344
|
BDBM326323
CC(C)Cc1cn(C[C@H]2CC[C@H](C)CC2)c2c(-c3cncc(Cl)c3)nc(C(=O)O)nc12
|
C24H29ClN4O2 440.975000 |
MRNYDPUXQGVJLN-WKILWMFISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326323
|
Local ready
Direct docking supported
|
|
E3L014345
BDB014345
|
BDBM326324
CC(C)Cc1cn(C[C@H]2CC[C@H](C)CC2)c2c(-c3cncc(Cl)c3)nc(-c3noc(=O)[nH]3)nc12
|
C25H29ClN6O2 481.000000 |
PBWNVJSHYSJKQB-WKILWMFISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326324
|
Local ready
Direct docking supported
|
|
E3L014346
BDB014346
|
BDBM326325
C[C@H]1CC[C@H](Cn2cc(CCc3cccnc3)c3nc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
|
C27H28ClN5O2 490.007000 |
UEXCFFZRHGCTRJ-UAPYVXQJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326325
|
Local ready
Direct docking supported
|
|
E3L014347
BDB014347
|
BDBM326326
C[C@H]1CC[C@H](Cn2cc(CCc3cccnc3)c3nc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
|
C28H28ClN7O2 530.032000 |
QHFRDULGMBUCPM-UAPYVXQJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326326
|
Local ready
Direct docking supported
|
|
E3L014348
BDB014348
|
BDBM326327
C[C@H]1CC[C@H](Cn2cc(Cc3cccnc3)c3nc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
|
C27H26ClN7O2 516.005000 |
GTAYJIUTGWZVGY-QAQDUYKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326327
|
Local ready
Direct docking supported
|
|
E3L014349
BDB014349
|
BDBM326328
C[C@H]1CC[C@H](Cn2c(C(F)c3ccccc3F)cc3nc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
|
C27H25ClF2N4O2 510.972000 |
VYNYPZHLOZKGOM-WSNUEFLKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326328
|
Local ready
Direct docking supported
|
|
E3L014350
BDB014350
|
BDBM326329
C[C@H]1CC[C@H](Cn2c(C(F)c3ccccc3F)cc3nc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
|
C28H25ClF2N6O2 550.997000 |
MDDWTEBQIZRNHB-WSNUEFLKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326329
|
Local ready
Direct docking supported
|
|
E3L014351
BDB014351
|
BDBM326330
CC(F)(c1ncccc1F)c1cc2nc(C(=O)O)nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1
|
C27H26ClF2N5O2 525.987000 |
AMGHPQMDOLZNKZ-FTKIHKAUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326330
|
Local ready
Direct docking supported
|
|
E3L014352
BDB014352
|
BDBM326332
CC(F)(c1ncccc1F)c1cc2nc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1
|
C28H26ClF2N7O2 566.012000 |
IRRNNACEACIDNR-SWGGNHTLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM326332
|
Local ready
Direct docking supported
|
|
E3L014353
BDB014353
|
Pioglitazone, (S)-
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1
|
C19H20N2O3S 356.447000 |
HYAFETHFCAUJAY-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM331829; PubChem:CID29010893
|
Local ready
Direct docking supported
|
|
E3L014354
BDB014354
|
Pioglitazone, (R)-
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1
|
C19H20N2O3S 356.447000 |
HYAFETHFCAUJAY-QGZVFWFLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM331830; PubChem:CID29010894
|
Local ready
Direct docking supported
|
|
E3L014355
BDB014355
|
US10195181, Example 13b
CO[C@H]1C[C@@H](C(C)(C)C)O[C@@H](c2onc(C(=O)NC3=C(C)N(C)N(C4CCCCC4)C3C)c2C)C1
|
C27H44N4O4 488.673000 |
JQATZKIUVQXNHA-LYIIJDOLSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331984; PubChem:CID124196186
|
Local ready
Direct docking supported
|
|
E3L014356
BDB014356
|
US10195181, Example 14
CO[C@@H]1C[C@@H](C(C)(C)C)O[C@@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCC4)c3=O)c2C)C1
|
C24H36N4O5 460.575000 |
VGPBTPMZOFDBDS-KSZLIROESA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331987; PubChem:CID118511178
|
Local ready
Direct docking supported
|
|
E3L014357
BDB014357
|
US10195181, Example 15a
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCC3)c2=O)noc1C1CCC[C@@H](C(C)(C)C)O1
|
C23H34N4O4 430.549000 |
HSVDEPRFXVRJIG-DJNXLDHESA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331988; PubChem:CID118517405
|
Local ready
Direct docking supported
|
|
E3L014358
BDB014358
|
US10195181, Example 16
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1CCC[C@@H](C(C)(C)C)O1
|
C25H38N4O4 458.603000 |
VZNLGZIMSONZEG-MOPGFXCFSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331990; PubChem:CID118511065
|
Local ready
Direct docking supported
|
|
E3L014359
BDB014359
|
US10195181, Example 17
Cc1c(C(=O)Nc2c(C)n(C)n(C(C)C)c2=O)noc1[C@H]1CCC[C@@H](C(C)(C)C)O1
|
C22H34N4O4 418.538000 |
IHDWQGDZRHONMF-CVEARBPZSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331991; PubChem:CID118511119
|
Local ready
Direct docking supported
|
|
E3L014360
BDB014360
|
US10195181, Example 18
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC=C[C@H](C(C)C)O1
|
C24H34N4O4 442.560000 |
YURCDKJFCMWBJY-MOPGFXCFSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331992; PubChem:CID118511042
|
Local ready
Direct docking supported
|