| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004061
BDB004061
|
Bisanilinopyrimidine, 9n
NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
|
C16H13ClFN5O2S 393.831000 |
RAOIIZFWMFAGEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92842; PubChem:CID70702161
|
Local ready
Direct docking supported
|
|
E3L004062
BDB004062
|
BDBM92843
Clc1ccccc1Nc1ccnc(Nc2ccc(-c3nnn[nH]3)cc2)n1
|
C17H13ClN8 364.800000 |
GADYBZMYJCZJLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92843; PubChem:CID56587967
|
Local ready
Direct docking supported
|
|
E3L004063
BDB004063
|
Bisanilinopyrimidine, 12b
Fc1cnc(Nc2ccc(-c3nnn[nH]3)cc2)nc1Nc1ccccc1Cl
|
C17H12ClFN8 382.790000 |
JGBVPRGLWQWHIG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92844; PubChem:CID70702162
|
Local ready
Direct docking supported
|
|
E3L004064
BDB004064
|
Bisanilinopyrimidine, 12c
Oc1cc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)ccc1-c1nnn[nH]1
|
C17H12ClFN8O 398.789000 |
UHSGZEJRMQHHSF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92845; PubChem:CID136226786
|
Local ready
Direct docking supported
|
|
E3L004065
BDB004065
|
Bisanilinopyrimidine, 12d
Clc1ccccc1Nc1nc(Nc2ccc(-c3nnn[nH]3)cc2)ncc1Cl
|
C17H12Cl2N8 399.245000 |
YQQWGLNBSUZDRG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92846; PubChem:CID70702164
|
Local ready
Direct docking supported
|
|
E3L004066
BDB004066
|
4-Aminoquinazoline derivative, 6a
Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Nc1ncc(-c2cccnc2)cn1
|
C31H32N8O2 548.651000 |
IIDXPMBKJWZQEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92867; PubChem:CID50898518
|
Local ready
Direct docking supported
|
|
E3L004067
BDB004067
|
4-Aminoquinazoline derivative, 6b
Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(-c2cccnc2)cn1
|
C32H34N8O 546.679000 |
VTMZVLJPBOBMNY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92868; PubChem:CID50898519
|
Local ready
Direct docking supported
|
|
E3L004068
BDB004068
|
4-Aminoquinazoline derivative, 6c
CCN(CC)CCCOc1ccc2c(Nc3ccc(C)c(Nc4ncc(-c5cccnc5)cn4)c3)ncnc2c1
|
C31H34N8O 534.668000 |
WQIDEXUPWOIQDI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92869; PubChem:CID50898520
|
Local ready
Direct docking supported
|
|
E3L004069
BDB004069
|
4-Aminoquinazoline derivative, 6d
Cc1ccc(Nc2ncnc3cc(OCCCN4CCCC4)ccc23)cc1Nc1ncc(-c2cccnc2)cn1
|
C31H32N8O 532.652000 |
IESKIIZEQNQSBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92870; PubChem:CID50898521
|
Local ready
Direct docking supported
|
|
E3L004070
BDB004070
|
4-Aminoquinazoline derivative, 6f
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)ccc12
|
C27H31N5O3S 505.644000 |
WZSQZESQWZLUNN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92871; PubChem:CID50898601
|
Local ready
Direct docking supported
|
|
E3L004071
BDB004071
|
4-Aminoquinazoline derivative, 6g
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCCC5)ccc34)ccc12
|
C27H30N4O3S 490.629000 |
DKPKQIUVTWRWMA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92872; PubChem:CID50898602
|
Local ready
Direct docking supported
|
|
E3L004072
BDB004072
|
4-Aminoquinazoline derivative, 6h
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCC5)ccc34)ccc12
|
C26H28N4O3S 476.602000 |
MZYVNBWBWMPZHH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92873; PubChem:CID50898603
|
Local ready
Direct docking supported
|
|
E3L004073
BDB004073
|
4-Aminoquinazoline derivative, 6i
CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN(CC)CC)ccc34)ccc12
|
C26H30N4O3S 478.618000 |
RHWPLTWVZOMUTO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92874; PubChem:CID50898604
|
Local ready
Direct docking supported
|
|
E3L004074
BDB004074
|
Kinase inhibitor, A2
Nc1cnc2c(-c3c(F)cccc3F)cccn2c1=O
|
C14H9F2N3O 273.242000 |
AMMNITAEKXLTKI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM93225; PubChem:CID71463563
|
Local ready
Direct docking supported
|
|
E3L004075
BDB004075
|
US20250388593, Example 221
Cn1c(=O)n(C2CCCC(=O)NC2=O)c2cccc(-c3ccncc3)c21
|
C19H18N4O3 350.378000 |
MCIXWACKLGPFFR-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95468; PubChem:CID175638733
|
Local ready
Direct docking supported
|
|
E3L004076
BDB004076
|
US20250388593, Example 222
Cn1c(=O)n(C2CCCC(=O)NC2=O)c2cccc(C3=CCN(CC(=O)OC(C)(C)C)CC3)c21
|
C25H32N4O5 468.554000 |
SHHRXPFFPZUKDJ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95469; PubChem:CID171844010
|
Local ready
Direct docking supported
|
|
E3L004077
BDB004077
|
US20250388593, Example 223
CC(C)(C)OC(=O)c1ccc(N2CC[C@]3(CCCC(=O)NC3=O)CC2=O)cc1
|
C21H26N2O5 386.448000 |
ONWGEIMUOXTXBN-OAQYLSRUSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95470; PubChem:CID175638736
|
Local ready
Direct docking supported
|
|
E3L004078
BDB004078
|
US20250388593, Example 224
CC(C)(C)OC(=O)c1ccc(N2CC[C@@]3(CCCC(=O)NC3=O)CC2=O)cc1
|
C21H26N2O5 386.448000 |
ONWGEIMUOXTXBN-NRFANRHFSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95472; PubChem:CID175638735
|
Local ready
Direct docking supported
|
|
E3L004079
BDB004079
|
US20250388593, Example 225
O=C1CCCC2(CCN(c3ccc([N+](=O)[O-])cc3)C(=O)C2)C(=O)N1
|
C16H17N3O5 331.328000 |
QIRXHAXMJXHBLM-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95473; PubChem:CID171843913
|
Local ready
Direct docking supported
|
|
E3L004080
BDB004080
|
US20250388593, Example 228
Nc1ccc(N2CCC3(CCCC(=O)NC3=O)CC2=O)cc1
|
C16H19N3O3 301.346000 |
NGACSVFEJOSCGC-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM95474; PubChem:CID178289696
|
Local ready
Direct docking supported
|