| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047101
BDB047101
|
BDBM50160417
O=C(O)[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1
|
C24H16F3IN2O4 580.300000 |
OUJPKXOGQQVHGA-PMACEKPBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50160417; PubChem:CID44390543
|
Local ready
Direct docking supported
|
|
E3L047102
BDB047102
|
BDBM50160872
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cc(C)ccn4)nn3)ccc2O)c1
|
C24H22N6O4 458.478000 |
XLWVSVQKSFJWJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160872; PubChem:CID127029393
|
Local ready
Direct docking supported
|
|
E3L047103
BDB047103
|
BDBM50160876
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ccccn4)nn3)ccc2O)c1
|
C23H20N6O4 444.451000 |
HMYNNUAMSUYMGE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160876; PubChem:CID127031218
|
Local ready
Direct docking supported
|
|
E3L047104
BDB047104
|
BDBM50160877
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cc(C)[nH]n4)nn3)ccc2O)c1
|
C22H21N7O4 447.455000 |
VIGCHZBAMJIXFT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160877; PubChem:CID127027240
|
Local ready
Direct docking supported
|
|
E3L047105
BDB047105
|
BDBM50160878
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CCNc4ncnc5ccsc45)nn3)ccc2O)c1
|
C25H21N7O4S 515.555000 |
KTBMJHSSOVCUPE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160878; PubChem:CID127028485
|
Local ready
Direct docking supported
|
|
E3L047106
BDB047106
|
BDBM50160880
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncnc5ccsc45)nn3)ccc2O)c1
|
C24H19N7O4S 501.528000 |
NLSGVTSSTDOANM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160880; PubChem:CID127028484
|
Local ready
Direct docking supported
|
|
E3L047107
BDB047107
|
BDBM50160885
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4nc5ccccc5o4)nn3)ccc2O)c1
|
C25H20N6O5 484.472000 |
UMDDFJFWGDLOPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160885; PubChem:CID127028483
|
Local ready
Direct docking supported
|
|
E3L047108
BDB047108
|
BDBM50160887
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CCNc4ncccn4)nn3)ccc2O)c1
|
C23H21N7O4 459.466000 |
LMYCISNEDHGBNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160887; PubChem:CID127032078
|
Local ready
Direct docking supported
|
|
E3L047109
BDB047109
|
BDBM50160888
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncccn4)nn3)ccc2O)c1
|
C22H19N7O4 445.439000 |
UXVZVFCQBXXPFK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160888; PubChem:CID127031810
|
Local ready
Direct docking supported
|
|
E3L047110
BDB047110
|
BDBM50160896
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cc(C)on4)nn3)ccc2O)c1
|
C22H20N6O5 448.439000 |
RVJYTRQUACDTGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160896; PubChem:CID127031808
|
Local ready
Direct docking supported
|
|
E3L047111
BDB047111
|
BDBM50160911
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ccccc4)nn3)ccc2O)c1
|
C24H21N5O4 443.463000 |
BSAGYAQHAOUDAA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160911; PubChem:CID127029997
|
Local ready
Direct docking supported
|
|
E3L047112
BDB047112
|
BDBM50160992
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(-c4ccc5c(c4)OCO5)nn3)ccc2O)c1
|
C24H18N4O6 458.430000 |
SJMKZONPNAFMPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160992; PubChem:CID127031807
|
Local ready
Direct docking supported
|
|
E3L047113
BDB047113
|
BDBM50160993
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(-c4ccc5nccnc5c4)nn3)ccc2O)c1
|
C25H18N6O4 466.457000 |
WREGKVBLEGKFQF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160993; PubChem:CID127053399
|
Local ready
Direct docking supported
|
|
E3L047114
BDB047114
|
BDBM50160994
COC(=O)c1cccc(NC(=O)c2cc(-n3cc(-c4cccc([N+](=O)[O-])c4)nn3)ccc2O)c1
|
C23H17N5O6 459.418000 |
RQIXHIBVDPXAFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50160994; PubChem:CID127053398
|
Local ready
Direct docking supported
|
|
E3L047115
BDB047115
|
(S)-3-(4-(cinnamyloxy)phenyl)-2-ethoxypropanoic acid
CCO[C@@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O
|
C20H22O4 326.392000 |
XPIWMJMYFHUGRW-AIADIJKESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50161659; PubChem:CID44389801
|
Local ready
Direct docking supported
|
|
E3L047116
BDB047116
|
BDBM50161660
CCO[C@@H](Cc1ccc(OCc2ccc(COc3ccc(C[C@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O
|
C30H34O8 522.594000 |
BYBPIVHGYNBROU-NSOVKSMOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50161660; PubChem:CID44389687
|
Local ready
Direct docking supported
|
|
E3L047117
BDB047117
|
BDBM50161662
CCO[C@@H](Cc1ccc(O/C=C\Oc2ccc(C[C@@H](OCC)C(=O)O)cc2)cc1)C(=O)O
|
C24H28O8 444.480000 |
GWEHUZRNACUMAA-KJJQFQSISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50161662; PubChem:CID44389800
|
Local ready
Direct docking supported
|
|
E3L047118
BDB047118
|
BDBM50161664
CCO[C@@H](Cc1ccc(OC/C=C(/C)C#Cc2ccccc2)cc1)C(=O)O
|
C23H24O4 364.441000 |
MFQIQMISMHBYLM-BBXQBHCASA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50161664; PubChem:CID44389733
|
Local ready
Direct docking supported
|
|
E3L047119
BDB047119
|
BDBM50161665
CCCCC[C@H](O)C/C=C/[C@@H]1C[C@@H](O)[C@H]2C/C(=C/CCCC(=O)O)C[C@H]21
|
C22H36O4 364.526000 |
NXPHXOSLGZKIRE-FMRUQUKBSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50161665; PubChem:CID44389847
|
Local ready
Direct docking supported
|
|
E3L047120
BDB047120
|
Neratinib
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
|
C30H29ClN6O3 557.054000 |
JWNPDZNEKVCWMY-VQHVLOKHSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50161957; PubChem:CID9915743
|
Local ready
Direct docking supported
|