| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050341
BDB050341
|
BDBM50264577
O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21
|
C23H25N3O2 375.472000 |
PNTVOXMDTWOXGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264577; PubChem:CID16666859
|
Local ready
Direct docking supported
|
|
E3L050342
BDB050342
|
BDBM50264578
O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21
|
C24H27N3O2 389.499000 |
MIKXASQPSQODNL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264578; PubChem:CID16666860
|
Local ready
Direct docking supported
|
|
E3L050343
BDB050343
|
BDBM50264579
O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c21
|
C22H23N3O3 377.444000 |
OCGVCAPERFIPEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264579; PubChem:CID16666861
|
Local ready
Direct docking supported
|
|
E3L050344
BDB050344
|
7-(5-methoxy-1H-indol-2-yl)isoindolin-1-one
COc1ccc2[nH]c(-c3cccc4c3C(=O)NC4)cc2c1
|
C17H14N2O2 278.311000 |
FUUBYTOMQKCISV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264580; PubChem:CID16666910
|
Local ready
Direct docking supported
|
|
E3L050345
BDB050345
|
7-(5-hydroxy-1H-indol-2-yl)isoindolin-1-one
O=C1NCc2cccc(-c3cc4cc(O)ccc4[nH]3)c21
|
C16H12N2O2 264.284000 |
MVFMGWGTVLENFC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264611; PubChem:CID16666909
|
Local ready
Direct docking supported
|
|
E3L050346
BDB050346
|
7-(1H-indol-2-yl)isoindolin-1-one
O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21
|
C16H12N2O 248.285000 |
LEXHMAXLGJIDED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264612; PubChem:CID16666862
|
Local ready
Direct docking supported
|
|
E3L050347
BDB050347
|
7-(5-(benzyloxy)-1H-indol-2-yl)isoindolin-1-one
O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c21
|
C23H18N2O2 354.409000 |
UIQCZMYFTSFLPQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264613; PubChem:CID16666806
|
Local ready
Direct docking supported
|
|
E3L050348
BDB050348
|
7-(5-methoxy-1H-benzo[d]imidazol-2-yl)isoindolin-1-one
COc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1
|
C16H13N3O2 279.299000 |
NWJXSQTVATYZMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264614; PubChem:CID16666858
|
Local ready
Direct docking supported
|
|
E3L050349
BDB050349
|
3-Oxo-2,3-dihydro-1H-isoindole-4-carboxamide
NC(=O)c1cccc2c1C(=O)NC2
|
C9H8N2O2 176.175000 |
LTNBJPASIMOEQG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264616; PubChem:CID44579957
|
Local ready
Direct docking supported
|
|
E3L050350
BDB050350
|
Methyl 3-oxoisoindoline-4-carboxylate
COC(=O)c1cccc2c1C(=O)NC2
|
C10H9NO3 191.186000 |
XWWXOIXNLPEQDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264658; PubChem:CID44579993
|
Local ready
Direct docking supported
|
|
E3L050351
BDB050351
|
3-Oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
O=C(O)c1cccc2c1C(=O)NC2
|
C9H7NO3 177.159000 |
SONYZPKBPBFLSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264659; PubChem:CID44579994
|
Local ready
Direct docking supported
|
|
E3L050352
BDB050352
|
BDBM50265449
[C]Oc1ccc(C(=O)C2=C3OC([C])([C])[C@@H]([C][C]=C([C])[C])[C][C@@]34[C][C@@H]([C][C]=C([C])[C])C([C])([C])[C@]([C][C]=C([C])[C])([C]4)C2=O)cc1[O]
|
C39H5O5 553.464000 |
QZGOJRIBACCQPE-HSFDOICUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50265449
|
Local ready
Direct docking supported
|
|
E3L050353
BDB050353
|
BDBM50266148
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
|
C27H21N7O 459.513000 |
GGIPEVUWPMVPNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266148; PubChem:CID24983495
|
Local ready
Direct docking supported
|
|
E3L050354
BDB050354
|
BDBM50266149
CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1
|
C27H22N6O2 462.513000 |
GOEHHWWOYYPDII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266149; PubChem:CID44581565
|
Local ready
Direct docking supported
|
|
E3L050355
BDB050355
|
BDBM50266185
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)c3ccccc23)n1
|
C28H20F3N7O 527.510000 |
VIHXUAKPZPXVSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266185; PubChem:CID16731782
|
Local ready
Direct docking supported
|
|
E3L050356
BDB050356
|
BDBM50266187
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4o3)c3ccccc23)n1
|
C27H20N6O2 460.497000 |
JDNWHCLQTRJTAJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266187; PubChem:CID24983254
|
Local ready
Direct docking supported
|
|
E3L050357
BDB050357
|
BDBM50266188
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)c3ccccc23)n1
|
C27H20N6OS 476.565000 |
VQRJYECHVOWPDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266188; PubChem:CID24983255
|
Local ready
Direct docking supported
|
|
E3L050358
BDB050358
|
BDBM50266221
CNc1nccc(-c2cccnc2Oc2c(C)cc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
|
C28H23N7O 473.540000 |
JXKDTYDBDDKIPY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50266221; PubChem:CID16733534
|
Local ready
Direct docking supported
|
|
E3L050359
BDB050359
|
BDBM50266292
Cc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C
|
C22H17N3O3 371.396000 |
WNTOXMAGPDYDCR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50266292; PubChem:CID126961333
|
Local ready
Direct docking supported
|
|
E3L050360
BDB050360
|
BDBM50266362
C=CCn1cc([N+](=O)[O-])s/c1=N\C(=O)C(C)(C)C
|
C11H15N3O3S 269.326000 |
SPVZIILAYYBEDM-BENRWUELSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50266362
|
Local ready
Direct docking supported
|