| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054281
BDB054281
|
BDBM50370181
Cc1cc(/N=N/c2ccc(S(=O)(=O)NC3CCCC3)cc2)c(N)cc1O
|
C18H22N4O3S 374.466000 |
IRKMSULWLDLTIK-QZQOTICOSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50370181
|
Local ready
Direct docking supported
|
|
E3L054282
BDB054282
|
BDBM50370182
Cc1cc(/N=N/c2ccc3c(c2)CCC(=O)N3)c(N)cc1O
|
C16H16N4O2 296.330000 |
ANMQADUROYWADA-FMQUCBEESA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50370182
|
Local ready
Direct docking supported
|
|
E3L054283
BDB054283
|
BDBM50370441
CN(C)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C30H29ClN6O2 541.055000 |
NQLBAFDUCAUTMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370441; PubChem:CID57946504
|
Local ready
Direct docking supported
|
|
E3L054284
BDB054284
|
BDBM50370442
CN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C30H29ClN6O2 541.055000 |
NBZRNTFURGGIML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370442; PubChem:CID57946415
|
Local ready
Direct docking supported
|
|
E3L054285
BDB054285
|
BDBM50370443
CC(C)c1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C30H28ClN5O2 526.040000 |
YJPSFRIIFNZTAR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370443; PubChem:CID145951250
|
Local ready
Direct docking supported
|
|
E3L054286
BDB054286
|
BDBM50370444
CCN(CC)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C32H33ClN6O2 569.109000 |
AHUJBJSHCSTRQK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370444; PubChem:CID145949878
|
Local ready
Direct docking supported
|
|
E3L054287
BDB054287
|
BDBM50370445
CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C30H29ClN6O2 541.055000 |
QBILDGGGAQXGGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370445; PubChem:CID44250391
|
Local ready
Direct docking supported
|
|
E3L054288
BDB054288
|
BDBM50370446
CCc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C29H26ClN5O2 512.013000 |
ODXLGPSRHTWRAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370446; PubChem:CID145950577
|
Local ready
Direct docking supported
|
|
E3L054289
BDB054289
|
BDBM50370494
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1ccccc1CN1CCC(O)CC1
|
C33H33ClN6O3 597.119000 |
WVLFHLOAIDRNCV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370494; PubChem:CID145971241
|
Local ready
Direct docking supported
|
|
E3L054290
BDB054290
|
BDBM50370495
Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C28H24ClN5O2 497.986000 |
YWYNGONSCKJMOW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370495; PubChem:CID145960125
|
Local ready
Direct docking supported
|
|
E3L054291
BDB054291
|
BDBM50370498
CC(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C31H30ClN5O2 540.067000 |
GGEVKWSGNLDNJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370498; PubChem:CID145959596
|
Local ready
Direct docking supported
|
|
E3L054292
BDB054292
|
BDBM50370499
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1cccc(CN2CCC(O)CC2)c1
|
C33H33ClN6O3 597.119000 |
FOANSKGMQAGOIR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370499; PubChem:CID145959540
|
Local ready
Direct docking supported
|
|
E3L054293
BDB054293
|
BDBM50370500
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1ccc(CN2CCC(O)CC2)cc1
|
C33H33ClN6O3 597.119000 |
LBJUQENGWONWHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370500; PubChem:CID145951056
|
Local ready
Direct docking supported
|
|
E3L054294
BDB054294
|
BDBM50370502
CCN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C31H31ClN6O2 555.082000 |
ZJJLQRJTKOYJNO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370502; PubChem:CID145959172
|
Local ready
Direct docking supported
|
|
E3L054295
BDB054295
|
BDBM50370503
Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C28H24ClN5O2 497.986000 |
KUVCMYWUDJSYSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370503; PubChem:CID145955906
|
Local ready
Direct docking supported
|
|
E3L054296
BDB054296
|
BDBM50370504
CC(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C31H30ClN5O2 540.067000 |
DKYIYSKRDUTBKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370504; PubChem:CID145957055
|
Local ready
Direct docking supported
|
|
E3L054297
BDB054297
|
BDBM50370505
CCN(CC)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C32H33ClN6O2 569.109000 |
ALGXUTHRGCWFHE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370505; PubChem:CID145950483
|
Local ready
Direct docking supported
|
|
E3L054298
BDB054298
|
BDBM50370506
CC(C)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C31H30ClN5O2 540.067000 |
SSUMENYDPJKIDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370506; PubChem:CID145957722
|
Local ready
Direct docking supported
|
|
E3L054299
BDB054299
|
BDBM50370507
Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C28H24ClN5O2 497.986000 |
HRBFUNRZFJWHLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370507; PubChem:CID145952797
|
Local ready
Direct docking supported
|
|
E3L054300
BDB054300
|
BDBM50370508
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1ccccc1CN1CCCCC1
|
C33H33ClN6O2 581.120000 |
ZXVWACUTSNFQBK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370508; PubChem:CID145957276
|
Local ready
Direct docking supported
|