| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057681
BDB057681
|
Docosanoic Acid
CCCCCCCCCCCCCCCCCCCCCC(=O)O
|
C22H44O2 340.592000 |
UKMSUNONTOPOIO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50488776; PubChem:CID8215
|
Local ready
Direct docking supported
|
|
E3L057682
BDB057682
|
BDBM50489125
Cc1nc[nH]c1[C@@H]1c2nc[nH]c2CCN1Cc1nc2ccccc2[nH]1
|
C18H19N7 333.399000 |
DNIJCXVBKOHALG-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50489125; PubChem:CID76309526
|
Local ready
Direct docking supported
|
|
E3L057683
BDB057683
|
BDBM50489126
O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1c3ccccc3[nH]c1[n+]2[O-]
|
C14H8N4O4 296.242000 |
QPPGFHBXOBMEKB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50489126; PubChem:CID135453643
|
Local ready
Direct docking supported
|
|
E3L057684
BDB057684
|
BDBM50489128
Cc1cccn2cc(CN(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)nc12
|
C21H23N5O 361.449000 |
XLNDVZHABMGNEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50489128; PubChem:CID136245248
|
Local ready
Direct docking supported
|
|
E3L057685
BDB057685
|
BDBM50489131
Cc1nc[nH]c1[C@H]1c2nc[nH]c2CCN1Cc1nc2ccccc2[nH]1
|
C18H19N7 333.399000 |
DNIJCXVBKOHALG-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50489131; PubChem:CID76316736
|
Local ready
Direct docking supported
|
|
E3L057686
BDB057686
|
BDBM50489368
CC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C28H30Cl2N4O2S 557.547000 |
SJOTXTWUPGBVMJ-YBZFOXLFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50489368; PubChem:CID58006900
|
Local ready
Direct docking supported
|
|
E3L057687
BDB057687
|
BDBM50490555
O=C(c1nnc[nH]1)N1[C@@H]2CC[C@H]1C[C@H](c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ncc13)C2
|
C28H24N10O 516.569000 |
XDWRYVRDKJOART-OWZKRDHZSA-N | Q8N122, Q9BVC4 | Serine/threonine-protein kinase mTOR |
BindingDB
BindingDB:BDBM50490555
|
Local ready
Direct docking supported
|
|
E3L057688
BDB057688
|
BDBM50490556
O=C(c1nnc[nH]1)N1[C@@H]2CC[C@H]1C[C@H](c1nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c3[nH]ccc13)C2
|
C26H23N11O 505.546000 |
LOQIPIKMODPFHY-OSYLJGHBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50490556
|
Local ready
Direct docking supported
|
|
E3L057689
BDB057689
|
BDBM50490557
Cc1n[nH]c2c1c([C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)c1nnc[nH]1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12
|
C29H26N10O 530.596000 |
BUOZDMLNVZSXNY-MZADTFQBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50490557
|
Local ready
Direct docking supported
|
|
E3L057690
BDB057690
|
BDBM50490819
COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CCC=C(C)C
|
C20H24O4 328.408000 |
NLNMITFNBJXRRP-XNTDXEJSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50490819; PubChem:CID5319406
|
Local ready
Direct docking supported
|
|
E3L057691
BDB057691
|
BDBM50490974
CNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
|
C20H17F2IN4O4S 574.347000 |
XUMQXLFNDALQFY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50490974; PubChem:CID66909316
|
Local ready
Direct docking supported
|
|
E3L057692
BDB057692
|
BDBM50491025
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cnccn2)cc1
|
C31H31N3O4 509.606000 |
MOPTUCBIIUBFAL-AREMUKBSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491025; PubChem:CID71582884
|
Local ready
Direct docking supported
|
|
E3L057693
BDB057693
|
BDBM50491026
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ncccn2)cc1
|
C31H31N3O4 509.606000 |
DEAVJKJURZRSJV-AREMUKBSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491026; PubChem:CID56929500
|
Local ready
Direct docking supported
|
|
E3L057694
BDB057694
|
BDBM50491027
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccnc2)cc1
|
C32H32N2O4 508.618000 |
GJBNEVFXFKPELL-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491027; PubChem:CID71584602
|
Local ready
Direct docking supported
|
|
E3L057695
BDB057695
|
BDBM50491028
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccn2)cc1
|
C32H32N2O4 508.618000 |
VNLGDGQUSNZZGB-HHHXNRCGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491028; PubChem:CID71584601
|
Local ready
Direct docking supported
|
|
E3L057696
BDB057696
|
BDBM50491029
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccc(F)c2)cc1
|
C33H32FNO4 525.620000 |
LFPYUGPDTRKMNE-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491029; PubChem:CID56929596
|
Local ready
Direct docking supported
|
|
E3L057697
BDB057697
|
BDBM50491030
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccc2)cc1
|
C33H33NO4 507.630000 |
BUHWDRGQLOQVKS-GDLZYMKVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491030; PubChem:CID56929599
|
Local ready
Direct docking supported
|
|
E3L057698
BDB057698
|
BDBM50491031
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccs2)cc1
|
C31H31NO4S 513.659000 |
CUZASPYQOLPJNO-AREMUKBSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491031; PubChem:CID56929501
|
Local ready
Direct docking supported
|
|
E3L057699
BDB057699
|
BDBM50491032
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccc(F)cc2)cc1
|
C33H32FNO4 525.620000 |
RSJJIKXMNJSHBD-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491032; PubChem:CID71584600
|
Local ready
Direct docking supported
|
|
E3L057700
BDB057700
|
BDBM50491033
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cncnc2)cc1
|
C31H31N3O4 509.606000 |
ITYBCMRFJIYOET-AREMUKBSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491033; PubChem:CID71582885
|
Local ready
Direct docking supported
|