| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057361
BDB057361
|
BDBM50467371
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccc(C(F)(F)F)cc1
|
C17H13F3N6S 390.394000 |
XRDQQWGROHCCAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467371; PubChem:CID145980673
|
Local ready
Direct docking supported
|
|
E3L057362
BDB057362
|
BDBM50467372
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccccc1C(F)(F)F
|
C17H13F3N6S 390.394000 |
IDMDQNLKWPITHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50467372
|
Local ready
Direct docking supported
|
|
E3L057363
BDB057363
|
BDBM50467373
Cc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(NC(C)C)ncc32)cc1
|
C19H21N7 347.426000 |
DVDNHJJINLEZSO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467373; PubChem:CID145986316
|
Local ready
Direct docking supported
|
|
E3L057364
BDB057364
|
BDBM50467374
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccccc1C
|
C17H16N6S 336.424000 |
ZVFOBWUNGPKXSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467374; PubChem:CID145990241
|
Local ready
Direct docking supported
|
|
E3L057365
BDB057365
|
BDBM50467375
Cc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(NC(C)(C)C)ncc32)cc1
|
C20H23N7 361.453000 |
QTJFIGDMMIYLER-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467375; PubChem:CID145992869
|
Local ready
Direct docking supported
|
|
E3L057366
BDB057366
|
BDBM50467376
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1ccccc1Cl
|
C16H13ClN6S 356.842000 |
MXUDIOKQCGEJOI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467376; PubChem:CID145980115
|
Local ready
Direct docking supported
|
|
E3L057367
BDB057367
|
BDBM50467377
COc1ccccc1C1=Nc2c(n[nH]c2C)Nc2nc(SC)ncc21
|
C17H16N6OS 352.423000 |
SIJQHUZIRWDQLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467377; PubChem:CID145979557
|
Local ready
Direct docking supported
|
|
E3L057368
BDB057368
|
BDBM50467378
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1cccc(F)c1
|
C16H13FN6S 340.387000 |
FKJKIYNCODEVEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467378; PubChem:CID145981097
|
Local ready
Direct docking supported
|
|
E3L057369
BDB057369
|
BDBM50467379
CSc1ncc2c(n1)Nc1n[nH]c(C)c1N=C2c1cccc(Cl)c1
|
C16H13ClN6S 356.842000 |
PVHJMAGWKQFOQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467379; PubChem:CID145988239
|
Local ready
Direct docking supported
|
|
E3L057370
BDB057370
|
BDBM50467380
Cc1ccc(C2=Nc3c(n[nH]c3C)Nc3nc(N4CCN(C)CC4)ncc32)cc1
|
C21H24N8 388.479000 |
CGQAJNWPJQOPOT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467380; PubChem:CID145987970
|
Local ready
Direct docking supported
|
|
E3L057371
BDB057371
|
Gsk-2646264
COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2c(c1)CCNCC2
|
C24H26N2O2 374.484000 |
KYANYGKXMNYFBX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467630; PubChem:CID60194098
|
Local ready
Direct docking supported
|
|
E3L057372
BDB057372
|
Milademetan
CC1(C)CCC2(CC1)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc21
|
C30H34Cl2FN5O4 618.537000 |
RYAYYVTWKAOAJF-QISPRATLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50467678; PubChem:CID73297272
|
Local ready
Direct docking supported
|
|
E3L057373
BDB057373
|
BDBM50467799
O=C(O)CC1COc2cc(OCCCOc3ccccc3)ccc21
|
C19H20O5 328.364000 |
KNBLXNQBQPYGTG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467799; PubChem:CID23111732
|
Local ready
Direct docking supported
|
|
E3L057374
BDB057374
|
BDBM50467800
O=C(O)CC1COc2cc(OCCCOc3ccccc3F)ccc21
|
C19H19FO5 346.354000 |
YIVYXJDRUIQGQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50467800; PubChem:CID145992176
|
Local ready
Direct docking supported
|
|
E3L057375
BDB057375
|
BDBM50467801
Cc1cc(OCCCOc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O
|
C24H24O5 392.451000 |
FHMQVNRYYFFGCI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467801; PubChem:CID145982210
|
Local ready
Direct docking supported
|
|
E3L057376
BDB057376
|
BDBM50467803
CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OCC3CC(=O)O)c1
|
C22H26O5 370.445000 |
DPLUHNJIYWLIIS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467803; PubChem:CID145981599
|
Local ready
Direct docking supported
|
|
E3L057377
BDB057377
|
BDBM50467804
O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21
|
C19H19ClO5 362.809000 |
KNTFJPOCGUBOIF-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467804; PubChem:CID145986696
|
Local ready
Direct docking supported
|
|
E3L057378
BDB057378
|
BDBM50467805
O=C(O)CC1COc2cc(OCCCOc3cccc(Br)c3)ccc21
|
C19H19BrO5 407.260000 |
QMCXGQFVAXBZTK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467805; PubChem:CID145992078
|
Local ready
Direct docking supported
|
|
E3L057379
BDB057379
|
BDBM50467806
O=C(O)CC1COc2cc(OCCOc3ccccc3)ccc21
|
C18H18O5 314.337000 |
APWGHDMBAODTJC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467806; PubChem:CID145989913
|
Local ready
Direct docking supported
|
|
E3L057380
BDB057380
|
BDBM50467807
[2H]C([2H])(Cc1ccc(OCCCOc2cccc(Cl)c2)cc1)C(=O)O
|
C18H19ClO4 336.811204 |
VELGAFISWIHNGG-KBMKNGFXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50467807; PubChem:CID145992170
|
Local ready
Direct docking supported
|