| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043201
BDB043201
|
BDBM50004209
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCOCC3)n2)cc1
|
C20H23N7O3 409.450000 |
IKXGXIHBHZAPHF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004209; PubChem:CID72194106
|
Local ready
Direct docking supported
|
|
E3L043202
BDB043202
|
BDBM50004210
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1
|
C22H27N7O3 437.504000 |
ULOSYFUAOUGRRE-GASCZTMLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004210; PubChem:CID90654764
|
Local ready
Direct docking supported
|
|
E3L043203
BDB043203
|
BDBM50004211
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(S(C)(=O)=O)CC3)n2)cc1
|
C21H26N8O4S 486.558000 |
XRYUZEDEBUKHHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004211; PubChem:CID90654765
|
Local ready
Direct docking supported
|
|
E3L043204
BDB043204
|
BDBM50004212
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1
|
C27H30N8O4S 562.656000 |
WCHNXJKSQIUKDO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004212; PubChem:CID90654766
|
Local ready
Direct docking supported
|
|
E3L043205
BDB043205
|
BDBM50004213
COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
|
C23H30N8O2 450.547000 |
UVOJHCXRGFEGDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004213; PubChem:CID90654767
|
Local ready
Direct docking supported
|
|
E3L043206
BDB043206
|
BDBM50004214
COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
|
C22H28N8O3 452.519000 |
JEASYUIWLMGSRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004214; PubChem:CID90654768
|
Local ready
Direct docking supported
|
|
E3L043207
BDB043207
|
BDBM50004215
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(C(=O)O)cc3)n2)n[nH]1
|
C20H24N8O2 408.466000 |
OSTJBRYXROABFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004215; PubChem:CID72196134
|
Local ready
Direct docking supported
|
|
E3L043208
BDB043208
|
BDBM50004216
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(C(=O)OC(C)C)cc3)n2)n[nH]1
|
C23H30N8O2 450.547000 |
AXSWPLBOGOXUSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004216; PubChem:CID72196137
|
Local ready
Direct docking supported
|
|
E3L043209
BDB043209
|
BDBM50004217
CNC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
|
C21H27N9O 421.509000 |
QDAMPVLVKMZFDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004217; PubChem:CID90654769
|
Local ready
Direct docking supported
|
|
E3L043210
BDB043210
|
BDBM50004218
COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(N2CCN(C)CC2)n1
|
C20H26N8O 394.483000 |
CCGKETUGLKHYOH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004218; PubChem:CID72194110
|
Local ready
Direct docking supported
|
|
E3L043211
BDB043211
|
BDBM50004219
COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)c1
|
C20H26N8O 394.483000 |
XCZGGMCDIPJRJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004219; PubChem:CID72194108
|
Local ready
Direct docking supported
|
|
E3L043212
BDB043212
|
BDBM50004220
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
|
C20H26N8O 394.483000 |
XDSAALDVHQCISS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004220; PubChem:CID72194109
|
Local ready
Direct docking supported
|
|
E3L043213
BDB043213
|
BDBM50004221
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccccc3Cl)n2)n[nH]1
|
C19H23ClN8 398.902000 |
TZAAKMNSRFRBJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004221; PubChem:CID72194111
|
Local ready
Direct docking supported
|
|
E3L043214
BDB043214
|
BDBM50004222
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3cccc(Cl)c3)n2)n[nH]1
|
C19H23ClN8 398.902000 |
XEEGMQIVYAJWAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004222; PubChem:CID72194253
|
Local ready
Direct docking supported
|
|
E3L043215
BDB043215
|
BDBM50004223
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(Cl)cc3)n2)n[nH]1
|
C19H23ClN8 398.902000 |
YXABNRNUULGJNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004223; PubChem:CID72194254
|
Local ready
Direct docking supported
|
|
E3L043216
BDB043216
|
BDBM50004224
CC(=O)Nc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
|
C21H27N9O 421.509000 |
IJAPKQGRWNBEJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004224; PubChem:CID90654770
|
Local ready
Direct docking supported
|
|
E3L043217
BDB043217
|
BDBM50004225
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(N4CCOCC4)cc3)n2)n[nH]1
|
C23H31N9O 449.563000 |
KWXSJRRBFUMJAN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004225; PubChem:CID72194528
|
Local ready
Direct docking supported
|
|
E3L043218
BDB043218
|
BDBM50004226
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(N4CC(=O)N(C5CC5)CC4=O)cc3)n2)n[nH]1
|
C26H32N10O2 516.610000 |
JXAKCZPGONRBSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004226; PubChem:CID90654771
|
Local ready
Direct docking supported
|
|
E3L043219
BDB043219
|
BDBM50004228
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)n[nH]1
|
C19H23N9O2 409.454000 |
UNKOUVAYOLLXER-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004228; PubChem:CID72194397
|
Local ready
Direct docking supported
|
|
E3L043220
BDB043220
|
BDBM50004229
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3cccc([N+](=O)[O-])c3)n2)n[nH]1
|
C19H23N9O2 409.454000 |
HNGRAFLHXDDWDJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50004229; PubChem:CID72194398
|
Local ready
Direct docking supported
|