| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051881
BDB051881
|
BDBM50310614
c1ccc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2c1
|
C21H18N6S 386.484000 |
NCBGQRJCNZUAKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310614; PubChem:CID11523891
|
Local ready
Direct docking supported
|
|
E3L051882
BDB051882
|
BDBM50310618
FC(F)(F)c1ccc2nc(Nc3ncc(CCNc4ncnc5ccsc45)s3)[nH]c2c1
|
C19H14F3N7S2 461.498000 |
FNECROKREKHEJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310618; PubChem:CID46883055
|
Local ready
Direct docking supported
|
|
E3L051883
BDB051883
|
BDBM50310619
c1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1
|
C18H15N7S2 393.501000 |
CPSQBCZJMZEPOE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310619; PubChem:CID46883054
|
Local ready
Direct docking supported
|
|
E3L051884
BDB051884
|
BDBM50310620
Clc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
|
C20H16ClN7S 421.917000 |
GWMLTDIKRRDXOE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310620; PubChem:CID46883181
|
Local ready
Direct docking supported
|
|
E3L051885
BDB051885
|
BDBM50310621
FC(F)(F)c1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
|
C21H16F3N7S 455.469000 |
CCCMIDUAEDVYME-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310621; PubChem:CID46883180
|
Local ready
Direct docking supported
|
|
E3L051886
BDB051886
|
BDBM50310622
Fc1cc(CCNc2ncnc3ccsc23)ccc1Nc1nc2ccc(C(F)(F)F)cc2[nH]1
|
C22H16F4N6S 472.471000 |
LMSNQXFIZAHXQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50310622; PubChem:CID46883137
|
Local ready
Direct docking supported
|
|
E3L051887
BDB051887
|
Ku-0063794
COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO
|
C25H31N5O4 465.554000 |
RFSMUFRPPYDYRD-CALCHBBNSA-N | Q6R327, Q9BVC4 | Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50310989; PubChem:CID16736978
|
Local ready
Direct docking supported
|
|
E3L051888
BDB051888
|
Momelotinib
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
|
C23H22N6O2 414.469000 |
ZVHNDZWQTBEVRY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50311017; PubChem:CID25062766
|
Local ready
Direct docking supported
|
|
E3L051889
BDB051889
|
BDBM50311261
COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3ccco3)c1)cn2C(C)=O
|
C23H18N2O6 418.405000 |
KOIBWAYWUHFAPT-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | Transcription intermediary factor 1-alpha, CREB-binding protein, Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50311261; PubChem:CID141736359
|
Local ready
Direct docking supported
|
|
E3L051890
BDB051890
|
BDBM50311384
COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3cnn(C)c3)c1)cn2C(C)=O
|
C23H20N4O5 432.436000 |
GMINUTRRQLVDKN-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha, Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311384; PubChem:CID145957310
|
Local ready
Direct docking supported
|
|
E3L051891
BDB051891
|
BDBM50311385
COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3cnn(C)c3)c1F)cn2C(C)=O
|
C23H19FN4O5 450.426000 |
RCPJEOKKJODBRQ-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase p300, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50311385; PubChem:CID141736367
|
Local ready
Direct docking supported
|
|
E3L051892
BDB051892
|
3-[(1-Acetylindole-3-carbonyl)amino]benzoic acid
CC(=O)n1cc(C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21
|
C18H14N2O4 322.320000 |
COLNOFWMIQPRKJ-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | Transcription intermediary factor 1-alpha, Histone acetyltransferase KAT2B, Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311387; PubChem:CID145952497
|
Local ready
Direct docking supported
|
|
E3L051893
BDB051893
|
BDBM50311438
CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(C(=O)O)c2)c2ccccc21
|
C24H24N2O6 436.464000 |
MBYTWRXIPXJQJP-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50311438; PubChem:CID145954441
|
Local ready
Direct docking supported
|
|
E3L051894
BDB051894
|
BDBM50311439
CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(-c3ccco3)c2)c2ccccc21
|
C22H16N2O5 388.379000 |
FAHTXQGZATYBQZ-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase KAT2B, Histone acetyltransferase p300, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50311439; PubChem:CID145958595
|
Local ready
Direct docking supported
|
|
E3L051895
BDB051895
|
BDBM50311440
CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc21
|
C18H13FN2O4 340.310000 |
ZPFVRLPOKUADTB-UHFFFAOYSA-N | O15164, Q09472, Q92793, Q92831 | Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha, CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50311440; PubChem:CID145950955
|
Local ready
Direct docking supported
|
|
E3L051896
BDB051896
|
BDBM50311441
CC(=O)c1cn(CC(=O)N2CCC(C(=O)O)CC2)c2ccccc12
|
C18H20N2O4 328.368000 |
LEWQDDQQUNSUFU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311441; PubChem:CID45494549
|
Local ready
Direct docking supported
|
|
E3L051897
BDB051897
|
BDBM50311442
COC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(C)=O)c3ccccc32)C1
|
C19H22N2O4 342.395000 |
SJZMJWUUGMTSTA-AWEZNQCLSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311442; PubChem:CID145972433
|
Local ready
Direct docking supported
|
|
E3L051898
BDB051898
|
BDBM50311443
COC(=O)C1CCN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1
|
C19H22N2O4 342.395000 |
KZKSAMVLQQWWHI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311443; PubChem:CID141736363
|
Local ready
Direct docking supported
|
|
E3L051899
BDB051899
|
Ethyl 3-(3-acetylindol-1-yl)propanoate
CCOC(=O)CCn1cc(C(C)=O)c2ccccc21
|
C15H17NO3 259.305000 |
MVHJTBYKZLBVRH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311444; PubChem:CID117098446
|
Local ready
Direct docking supported
|
|
E3L051900
BDB051900
|
3-(3-acetyl-1H-indol-1-yl)propanoic acid
CC(=O)c1cn(CCC(=O)O)c2ccccc12
|
C13H13NO3 231.251000 |
DWVWXXMZRUKODS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50311445; PubChem:CID6490661
|
Local ready
Direct docking supported
|