| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016681
BDB016681
|
BDBM375327
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4cccc(N5CCNCC5)c4)n[nH]c3c1)C(=O)N2
|
C28H27N5O2 465.557000 |
SFKIVLKEKRYXCU-WOKNPCPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375327; PubChem:CID58486303
|
Local ready
Direct docking supported
|
|
E3L016682
BDB016682
|
BDBM375328
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2
|
C28H27N5O2 465.557000 |
CHTYRUHQWURFTA-WOKNPCPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375328; PubChem:CID134308635
|
Local ready
Direct docking supported
|
|
E3L016683
BDB016683
|
BDBM375329
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2
|
C28H27N5O2 465.557000 |
CHTYRUHQWURFTA-FIPFOOKPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375329; PubChem:CID67448476
|
Local ready
Direct docking supported
|
|
E3L016684
BDB016684
|
BDBM375330
COc1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2
|
C28H27N5O2 465.557000 |
CHTYRUHQWURFTA-QDPGVEIFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375330; PubChem:CID67448759
|
Local ready
Direct docking supported
|
|
E3L016685
BDB016685
|
BDBM375331
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O3 520.633000 |
XAWWDXITYFPCFQ-DSVNHOSOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375331; PubChem:CID58486135
|
Local ready
Direct docking supported
|
|
E3L016686
BDB016686
|
BDBM375332
COc1ccc2c(c1)C1(CC1c1ccc3c(C#Cc4cccnc4)n[nH]c3c1)C(=O)N2
|
C25H18N4O2 406.445000 |
YLYJQOWXLWKXAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375332; PubChem:CID58486148
|
Local ready
Direct docking supported
|
|
E3L016687
BDB016687
|
BDBM375333
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
|
C24H18N4O 378.435000 |
AQCICCUGTGJUFF-NZCFZJHXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375333; PubChem:CID67448247
|
Local ready
Direct docking supported
|
|
E3L016688
BDB016688
|
BDBM375334
N#Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C26H18N4O 402.457000 |
ZZZRFDJBEAXMTI-CRERWDRJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375334; PubChem:CID67445795
|
Local ready
Direct docking supported
|
|
E3L016689
BDB016689
|
BDBM375340
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(/C=C/c3ccc(CN4CCCC4)cc3)n[nH]c2c1
|
C30H28N4O 460.581000 |
LYJJDILNOAREKN-CCULNZBTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375340; PubChem:CID67978694
|
Local ready
Direct docking supported
|
|
E3L016690
BDB016690
|
BDBM375344
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc5c(c4)CN(C)CC5)n[nH]c3c1)C(=O)N2
|
C30H28N4O2 476.580000 |
QZUUQYFKWAJJLE-FSXXDKMVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375344; PubChem:CID58486265
|
Local ready
Direct docking supported
|
|
E3L016691
BDB016691
|
BDBM375345
CN1CCc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2C1
|
C29H26N4O 446.554000 |
UUIKNWSERIMQHE-VRETXUBVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375345; PubChem:CID58486149
|
Local ready
Direct docking supported
|
|
E3L016692
BDB016692
|
BDBM375346
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc5c(c4)CNCC5)n[nH]c3c1)C(=O)N2
|
C29H26N4O2 462.553000 |
XXEJKQAXDDZKEN-LTOIKBMTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375346; PubChem:CID58486312
|
Local ready
Direct docking supported
|
|
E3L016693
BDB016693
|
BDBM375347
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(OCCN5CCCCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H32N4O3 508.622000 |
VRRDCJGHECQBRM-HVNZXBJASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375347; PubChem:CID58486321
|
Local ready
Direct docking supported
|
|
E3L016694
BDB016694
|
BDBM375348
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(OCCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H30N4O4 510.594000 |
MMDHMQDSQOAEMY-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375348; PubChem:CID58486323
|
Local ready
Direct docking supported
|
|
E3L016695
BDB016695
|
BDBM375349
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(OCCN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C28H28N4O3 468.557000 |
TVJIKXZQJVMALM-FIPFOOKPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375349; PubChem:CID58486144
|
Local ready
Direct docking supported
|
|
E3L016696
BDB016696
|
BDBM375351
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc5c(c4)CN(C)CC5)n[nH]c3c1)C(=O)N2
|
C28H26N4O2 450.542000 |
YMQBDSJOADYOTK-FIPFOOKPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375351; PubChem:CID58486368
|
Local ready
Direct docking supported
|
|
E3L016697
BDB016697
|
BDBM375352
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc5c(c4)CNCC5)n[nH]c3c1)C(=O)N2
|
C27H24N4O2 436.515000 |
UNNVOJBRFBSAJJ-CUNXSJBXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375352; PubChem:CID58486306
|
Local ready
Direct docking supported
|
|
E3L016698
BDB016698
|
BDBM375354
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O3 520.633000 |
JMTRRULAOAXREB-PPDHBDSZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375354; PubChem:CID58486292
|
Local ready
Direct docking supported
|
|
E3L016699
BDB016699
|
BDBM375355
CN1CCc2cc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)ccc2C1
|
C29H26N4O 446.554000 |
ZLSDSWNCEJQZGL-VRETXUBVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375355; PubChem:CID58486180
|
Local ready
Direct docking supported
|
|
E3L016700
BDB016700
|
US9907800, Example A75
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc5c(c4)CCN(C)C5)n[nH]c3c1)C(=O)N2
|
C30H28N4O2 476.580000 |
IKCSWWIZBWLZMP-FSXXDKMVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375356; PubChem:CID58486226
|
Local ready
Direct docking supported
|