| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061121
BDB061121
|
Hu7691 free base
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
|
C22H21F3N4O 414.431000 |
PALTUSLCLFDFQQ-MGPUTAFESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50573869; PubChem:CID135274950
|
Local ready
Direct docking supported
|
|
E3L061122
BDB061122
|
BDBM50574091
Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(Cl)c5)s4)cnc3c2)cn1
|
C21H15ClN4S 390.899000 |
JGDCBWHESDAKNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50574091; PubChem:CID164612637
|
Local ready
Direct docking supported
|
|
E3L061123
BDB061123
|
BDBM50574093
COc1cccc(OC)c1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1
|
C23H20N4O2S 416.506000 |
KLSHWIBNWRYPMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50574093; PubChem:CID164616232
|
Local ready
Direct docking supported
|
|
E3L061124
BDB061124
|
BDBM50574657
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCOCC3)ccc2N2CCN(C)CC2)c1Cl
|
C28H33ClFN5O3 542.055000 |
DQKAXADDLDHJAJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574657; PubChem:CID164616338
|
Local ready
Direct docking supported
|
|
E3L061125
BDB061125
|
BDBM50574658
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCN)ccc2N2CCN(C)CC2)c1Cl
|
C22H25ClFN5O 429.927000 |
WNDVATIEYUOHIZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574658; PubChem:CID164612895
|
Local ready
Direct docking supported
|
|
E3L061126
BDB061126
|
BDBM50574659
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCN(C)CC3)ccc2N2CCN(C)CC2)c1Cl
|
C29H36ClFN6O2 555.098000 |
GKKMASWBFXJDID-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574659; PubChem:CID164617680
|
Local ready
Direct docking supported
|
|
E3L061127
BDB061127
|
BDBM50574660
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCC(O)CC3)ccc2N2CCN(C)CC2)c1Cl
|
C29H35ClFN5O3 556.082000 |
QDIHXTGBZAYDNY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574660; PubChem:CID164627738
|
Local ready
Direct docking supported
|
|
E3L061128
BDB061128
|
BDBM50574661
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CC3CCOCC3)ccc2N2CCN(C)CC2)c1Cl
|
C29H35ClFN5O3 556.082000 |
LVLAVFWECSPOMI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574661; PubChem:CID164618030
|
Local ready
Direct docking supported
|
|
E3L061129
BDB061129
|
BDBM50574662
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CCCCO)ccc2N2CCN(C)CC2)c1Cl
|
C27H33ClFN5O3 530.044000 |
NAVJRMICJNPOSB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574662; PubChem:CID164611232
|
Local ready
Direct docking supported
|
|
E3L061130
BDB061130
|
BDBM50574663
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C(N)C(C)C)ccc2N2CCN(C)CC2)c1Cl
|
C27H34ClFN6O2 529.060000 |
FTPFJGRCKOYJBW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574663; PubChem:CID164609212
|
Local ready
Direct docking supported
|
|
E3L061131
BDB061131
|
BDBM50574664
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)c3ccc(C(=O)N(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C32H34ClFN6O3 605.114000 |
USSJDXKXMPIJJT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574664; PubChem:CID164623801
|
Local ready
Direct docking supported
|
|
E3L061132
BDB061132
|
BDBM50574665
Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)c3ccc(C(=O)N4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C34H36ClFN6O4 647.151000 |
OKASGPAJFIOSGT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574665; PubChem:CID164621331
|
Local ready
Direct docking supported
|
|
E3L061133
BDB061133
|
BDBM50574666
COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)nn1
|
C23H25ClFN7O3 501.950000 |
SKNBJKQSMQVYLP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574666; PubChem:CID141725708
|
Local ready
Direct docking supported
|
|
E3L061134
BDB061134
|
BDBM50574667
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)O)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C22H23ClFN7O3 487.923000 |
ULYZOXPTGWTZKW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574667; PubChem:CID141725705
|
Local ready
Direct docking supported
|
|
E3L061135
BDB061135
|
BDBM50574668
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N(C)C)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C24H28ClFN8O2 514.993000 |
YVYDEUSEBPMHIF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574668; PubChem:CID141725707
|
Local ready
Direct docking supported
|
|
E3L061136
BDB061136
|
BDBM50574669
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C26H30ClFN8O3 557.030000 |
PBPMDBKPPQYRLH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574669; PubChem:CID141725700
|
Local ready
Direct docking supported
|
|
E3L061137
BDB061137
|
BDBM50574670
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C27H32ClFN8O3 571.057000 |
WKDPERRTFWPQQI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574670; PubChem:CID141725706
|
Local ready
Direct docking supported
|
|
E3L061138
BDB061138
|
BDBM50574671
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C28H35ClFN9O2 584.100000 |
AQQCBBDWEBSYPT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574671; PubChem:CID141725709
|
Local ready
Direct docking supported
|
|
E3L061139
BDB061139
|
BDBM50574672
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NCCCN4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C29H37ClFN9O3 614.126000 |
MPTAUAHHFUFKAG-UHFFFAOYSA-N | P61964, Q03164 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM50574672
|
Local ready
Direct docking supported
|
|
E3L061140
BDB061140
|
BDBM50574673
Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl
|
C27H33ClFN9O2 570.073000 |
ODAHPVIJSAJSJC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50574673; PubChem:CID156112338
|
Local ready
Direct docking supported
|