| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056921
BDB056921
|
BDBM50455348
CNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(CC3CCCC3)c2n1
|
C21H28N8 392.511000 |
MMJWZGGVKOHMPQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455348; PubChem:CID145965329
|
Local ready
Direct docking supported
|
|
E3L056922
BDB056922
|
BDBM50455349
CNc1ncc2c(-c3ccc(N4CCN(C(=O)C(C)(C)C)CC4)nc3)nn(Cc3cn(Cc4ccccc4)nn3)c2n1
|
C30H35N11O 565.686000 |
AKGTYUDYJSLFDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455349; PubChem:CID145977420
|
Local ready
Direct docking supported
|
|
E3L056923
BDB056923
|
BDBM50455350
CCN1CCN(c2ccc(-c3nn(CC4CCCC4)c4nc(NC)ncc34)cn2)CC1
|
C23H32N8 420.565000 |
CXNXNSYZZDJASK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455350; PubChem:CID145964882
|
Local ready
Direct docking supported
|
|
E3L056924
BDB056924
|
BDBM50455351
CNc1ncc2c(-c3ccc(OC)cc3)nn(CC3OCCO3)c2n1
|
C17H19N5O3 341.371000 |
HCOCLLJWSDTXOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455351; PubChem:CID145967078
|
Local ready
Direct docking supported
|
|
E3L056925
BDB056925
|
BDBM50455352
CNc1ncc2c(-c3ccc(N4CCN(C(=O)C(C)(C)C)CC4)nc3)nn(CC3CCCC3)c2n1
|
C26H36N8O 476.629000 |
XKCCGMYJZWDKCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455352; PubChem:CID145970271
|
Local ready
Direct docking supported
|
|
E3L056926
BDB056926
|
BDBM50455353
CNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(Cc3cn(Cc4ccccc4)nn3)c2n1
|
C25H27N11 481.568000 |
USPKFTCYXHJXCN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455353; PubChem:CID145966620
|
Local ready
Direct docking supported
|
|
E3L056927
BDB056927
|
BDBM50455354
CNc1ncc2c(-c3ccc(N4CCN(C)CC4)nc3)nn(CC3CCCC3)c2n1
|
C22H30N8 406.538000 |
UGPDJIJFANODJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455354; PubChem:CID145966810
|
Local ready
Direct docking supported
|
|
E3L056928
BDB056928
|
BDBM50455355
CNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(Cc3cn(Cc4ccccc4)nn3)c2n1
|
C26H28N10 480.580000 |
UYWDDAKIGJTMMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455355; PubChem:CID145965031
|
Local ready
Direct docking supported
|
|
E3L056929
BDB056929
|
BDBM50455356
CNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(Cc3cn(-c4ccsc4C(=O)OC)nn3)c2n1
|
C24H25N11O2S 531.606000 |
ZZOIXVRJVONVLW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455356; PubChem:CID145978300
|
Local ready
Direct docking supported
|
|
E3L056930
BDB056930
|
BDBM50455357
CNc1ncc2c(-c3ccc(N4CCN(C)CC4)nc3)nn(Cc3cn(Cc4ccccc4)nn3)c2n1
|
C26H29N11 495.595000 |
CXISENKPXGMZEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50455357; PubChem:CID145969844
|
Local ready
Direct docking supported
|
|
E3L056931
BDB056931
|
BDBM50455480
CC(=O)N1c2ccc(C3=CCNCC3)cc2N(Cc2ccccc2CO)C[C@@H]1C1CC1
|
C26H31N3O2 417.553000 |
ARWMKZDWGIOCEU-AREMUKBSSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Histone acetyltransferase p300, CREB-binding protein, Nucleosome-remodeling factor subunit BPTF, Transcription intermediary factor 1-alpha, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50455480; PubChem:CID137321204
|
Local ready
Direct docking supported
|
|
E3L056932
BDB056932
|
BDBM50456107
CN1CCN(c2cc(Nc3cc(C4CCCC4)[nH]n3)nc(Sc3ccccc3)n2)CC1
|
C23H29N7S 435.601000 |
NZCGPZGBVIWOIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50456107; PubChem:CID138644146
|
Local ready
Direct docking supported
|
|
E3L056933
BDB056933
|
BDBM50456108
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccccc3)n2)n[nH]1
|
C19H23N7S 381.509000 |
CPVWZVNGLWUDCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50456108; PubChem:CID138633768
|
Local ready
Direct docking supported
|
|
E3L056934
BDB056934
|
BDBM50456109
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(SCc3ccc(F)cc3)n2)n[nH]1
|
C20H24FN7S 413.526000 |
LDKFMROXBKEDTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50456109; PubChem:CID138665084
|
Local ready
Direct docking supported
|
|
E3L056935
BDB056935
|
BDBM50456110
CN1CCN(c2cc(Nc3cc(-c4cccc(F)c4)[nH]n3)nc(Sc3ccccc3)n2)CC1
|
C24H24FN7S 461.570000 |
NIYBCVRMZHPXIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50456110; PubChem:CID138376543
|
Local ready
Direct docking supported
|
|
E3L056936
BDB056936
|
BDBM50456111
Cc1ccc(CSc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
|
C21H27N7S 409.563000 |
JJSRRCSUDKCPDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50456111; PubChem:CID20604140
|
Local ready
Direct docking supported
|
|
E3L056937
BDB056937
|
BDBM50456434
CC(C)(Oc1ccc(C(=O)c2cc3ccccc3oc2=O)cc1)C(=O)O
|
C20H16O6 352.342000 |
HQTQHGVVQYWFJR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50456434; PubChem:CID141511161
|
Local ready
Direct docking supported
|
|
E3L056938
BDB056938
|
BDBM50456435
CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1
|
C22H19NO8 425.393000 |
PCRGCILEQFHDCQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50456435; PubChem:CID141511162
|
Local ready
Direct docking supported
|
|
E3L056939
BDB056939
|
BDBM50456436
CCOC(=O)C(C)(C)Oc1ccc(C(=O)C2Cc3ccccc3OC2=O)cc1
|
C22H22O6 382.412000 |
NOJSNEIWZKRZEU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50456436; PubChem:CID145976778
|
Local ready
Direct docking supported
|
|
E3L056940
BDB056940
|
BDBM50456437
CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3ccccc3oc2=O)cc1
|
C22H20O6 380.396000 |
XIQVIIZQRHAUGW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50456437; PubChem:CID141511142
|
Local ready
Direct docking supported
|