| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049481
BDB049481
|
(1R,2S)-Tranylcypromine
N[C@@H]1C[C@H]1c1ccccc1
|
C9H11N 133.194000 |
AELCINSCMGFISI-DTWKUNHWSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50240772; PubChem:CID19493
|
Local ready
Direct docking supported
|
|
E3L049482
BDB049482
|
8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine
COc1cc(CCN)c2c(c1OC)SSSSS2
|
C10H13NO2S5 339.554000 |
HIKCOAGMCNIBMP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50240848; PubChem:CID179269
|
Local ready
Direct docking supported
|
|
E3L049483
BDB049483
|
Bimiralisib
Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
|
C17H20F3N7O2 411.388000 |
ADGGYDAFIHSYFI-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50240975; PubChem:CID58507717
|
Local ready
Direct docking supported
|
|
E3L049484
BDB049484
|
BDBM50240980
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1ccc(-c2ccsc2)s1
|
C24H17N3O2S2 443.553000 |
MFMIZBCYOYSYCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50240980; PubChem:CID44402172
|
Local ready
Direct docking supported
|
|
E3L049485
BDB049485
|
GW-610
COc1ccc(-c2nc3cc(F)ccc3s2)cc1OC
|
C15H12FNO2S 289.331000 |
ZRLSVQBGBBYEAZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50240990; PubChem:CID6712941
|
Local ready
Direct docking supported
|
|
E3L049486
BDB049486
|
Barasertib
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(=O)(O)O
|
C26H31FN7O6P 587.549000 |
GBJVVSCPOBPEIT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50241089; PubChem:CID11497983
|
Local ready
Direct docking supported
|
|
E3L049487
BDB049487
|
BDBM50241116
CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
|
C19H23ClN2O3S 394.924000 |
IMPXBWVTYSVBEU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50241116; PubChem:CID137631891
|
Local ready
Direct docking supported
|
|
E3L049488
BDB049488
|
2-Methyl-4(3H)-quinazolinone
Cc1nc2ccccc2c(=O)[nH]1
|
C9H8N2O 160.176000 |
FIEYHAAMDAPVCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50241202; PubChem:CID135400457
|
Local ready
Direct docking supported
|
|
E3L049489
BDB049489
|
Bisphenol A diglycidyl ether
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
|
C21H24O4 340.419000 |
LCFVJGUPQDGYKZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50241439; PubChem:CID2286
|
Local ready
Direct docking supported
|
|
E3L049490
BDB049490
|
Methylene blue cation
CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
|
C16H18N3S+ 284.408000 |
RBTBFTRPCNLSDE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50241461; PubChem:CID4139
|
Local ready
Direct docking supported
|
|
E3L049491
BDB049491
|
BDBM50241616
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC
|
C22H21ClN2O5 428.872000 |
RKKFQJXGAQWHBZ-YVLHZVERSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50241616; PubChem:CID1317466
|
Local ready
Direct docking supported
|
|
E3L049492
BDB049492
|
BDBM50241617
CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O)c1ccccc1
|
C27H31N3O4 461.562000 |
HZDAQXMGNYLXAY-JWIMYKKASA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50241617; PubChem:CID137633285
|
Local ready
Direct docking supported
|
|
E3L049493
BDB049493
|
BDBM50241618
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
C31H29NO4 479.576000 |
GTHARARCIGECKR-LJAQVGFWSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50241618; PubChem:CID137637908
|
Local ready
Direct docking supported
|
|
E3L049494
BDB049494
|
BDBM50241619
CC(C)(C)Oc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(=O)O)cc1
|
C28H31NO4 445.559000 |
CGEBZHJGMWQTHE-VWLOTQADSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50241619; PubChem:CID137653948
|
Local ready
Direct docking supported
|
|
E3L049495
BDB049495
|
BDBM50241620
Nc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(=O)O)cc1
|
C24H24N2O3 388.467000 |
GQVXJYYWXOHGHE-QFIPXVFZSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50241620; PubChem:CID137640724
|
Local ready
Direct docking supported
|
|
E3L049496
BDB049496
|
BDBM50241621
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O
|
C24H22ClNO3 407.897000 |
GPUXNVYHKPLPND-QFIPXVFZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50241621; PubChem:CID137655459
|
Local ready
Direct docking supported
|
|
E3L049497
BDB049497
|
BDBM50241622
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O
|
C24H23NO3 373.452000 |
OKPOWHJBMXCHGA-QFIPXVFZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50241622; PubChem:CID122689625
|
Local ready
Direct docking supported
|
|
E3L049498
BDB049498
|
BDBM50241623
O=C(CC(c1ccccc1)c1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)O
|
C24H23NO4 389.451000 |
NTJVCYLHJRYAHT-JOCHJYFZSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50241623; PubChem:CID137657022
|
Local ready
Direct docking supported
|
|
E3L049499
BDB049499
|
BDBM50241626
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
|
C25H25NO4 403.478000 |
QOVUJXDGZUQNAV-QHCPKHFHSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50241626; PubChem:CID137646640
|
Local ready
Direct docking supported
|
|
E3L049500
BDB049500
|
BDBM50241627
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
|
C31H29NO4 479.576000 |
YNZYXAGVJDCNTE-NDEPHWFRSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50241627; PubChem:CID137656534
|
Local ready
Direct docking supported
|