| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062341
BDB062341
|
BDBM50599234
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CNC[C@H]1F)c(=O)n2C
|
C20H20FN7O 393.426000 |
VHGGSMHLKWIQAF-CZUORRHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599234; PubChem:CID146273897
|
Local ready
Direct docking supported
|
|
E3L062342
BDB062342
|
BDBM50599236
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C
|
C22H25N7O 403.490000 |
FDMMYUOTNSORRO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599236; PubChem:CID146275598
|
Local ready
Direct docking supported
|
|
E3L062343
BDB062343
|
BDBM50599237
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
|
C21H22N6O2 390.447000 |
LOQIJPHCNFJJTO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599237; PubChem:CID146275562
|
Local ready
Direct docking supported
|
|
E3L062344
BDB062344
|
BDBM50599238
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
SERJTVXHERVFCQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599238; PubChem:CID146275586
|
Local ready
Direct docking supported
|
|
E3L062345
BDB062345
|
BDBM50599239
Cc1cc2ncncc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
SSZAAHLAQZPHBG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599239; PubChem:CID146275588
|
Local ready
Direct docking supported
|
|
E3L062346
BDB062346
|
BDBM50599240
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
UPVUNETUEQQLTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599240; PubChem:CID146275580
|
Local ready
Direct docking supported
|
|
E3L062347
BDB062347
|
BDBM50599241
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C
|
C21H24N8O 404.478000 |
IWUSAMFKHBZSJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599241; PubChem:CID153374029
|
Local ready
Direct docking supported
|
|
E3L062348
BDB062348
|
BDBM50599242
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C
|
C21H24N8O 404.478000 |
QHQYJOFNJZOTQM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599242; PubChem:CID146275589
|
Local ready
Direct docking supported
|
|
E3L062349
BDB062349
|
BDBM50599243
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C
|
C21H23N7O 389.463000 |
BUAYUJMPGUYFPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599243; PubChem:CID146275593
|
Local ready
Direct docking supported
|
|
E3L062350
BDB062350
|
BDBM50599244
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C1)c(=O)n2C
|
C21H23N7O 389.463000 |
BKFQDJSERMBSAM-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599244; PubChem:CID155776851
|
Local ready
Direct docking supported
|
|
E3L062351
BDB062351
|
BDBM50599251
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CCN(C)C1)c(=O)n2C
|
C21H23N7O 389.463000 |
BKFQDJSERMBSAM-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599251; PubChem:CID146275572
|
Local ready
Direct docking supported
|
|
E3L062352
BDB062352
|
BDBM50599467
CN1CCN(C(=O)c2ccc(NC(=O)Nc3nc4ccc(O)cc4s3)cc2)CC1
|
C20H21N5O3S 411.487000 |
BEFUFKXGAMLMTP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50599467; PubChem:CID145993150
|
Local ready
Direct docking supported
|
|
E3L062353
BDB062353
|
BDBM50599471
O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1nc2ccc(O)cc2s1
|
C22H18N4O3S 418.478000 |
CMEHUCXLRATIIB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50599471; PubChem:CID145985653
|
Local ready
Direct docking supported
|
|
E3L062354
BDB062354
|
Aurora/LIM kinase-IN-1
CC(C)n1cc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cn1
|
C16H20N6O 312.377000 |
WANOQCJEBRGYPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50599845; PubChem:CID163196400
|
Local ready
Direct docking supported
|
|
E3L062355
BDB062355
|
BDBM50600295
COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCOCC2)cc1
|
C26H31N3O4 449.551000 |
DVARPKLPZMHFHM-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600295; PubChem:CID150100022
|
Local ready
Direct docking supported
|
|
E3L062356
BDB062356
|
BDBM50600296
COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCCCC2)cc1
|
C27H33N3O3 447.579000 |
UJFBHTPXHIYRGU-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600296; PubChem:CID152013600
|
Local ready
Direct docking supported
|
|
E3L062357
BDB062357
|
BDBM50600297
COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCCC2)cc1
|
C26H31N3O3 433.552000 |
DUYFMLONWKDSAB-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600297; PubChem:CID142504319
|
Local ready
Direct docking supported
|
|
E3L062358
BDB062358
|
BDBM50600298
COc1ccc(C2(C(=O)N(C)CC(=O)Nc3cccc4[nH]ncc34)CCCCC2)cc1
|
C24H28N4O3 420.513000 |
QEJJXNXKQNDITO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600298; PubChem:CID142504243
|
Local ready
Direct docking supported
|
|
E3L062359
BDB062359
|
BDBM50600299
COc1ccc(C2(C(=O)N(C)[C@H](C)C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1
|
C24H28N4O3 420.513000 |
IAVXXMLYPUUEOX-MRXNPFEDSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600299; PubChem:CID168289401
|
Local ready
Direct docking supported
|
|
E3L062360
BDB062360
|
BDBM50600300
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCCC2)cc1
|
C26H30N4O3 446.551000 |
XTWOKGWVMFHYAN-HSZRJFAPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50600300; PubChem:CID168279153
|
Local ready
Direct docking supported
|