| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019821
BDB019821
|
US10829490, Cmpd # 8
CCOC(=O)C1C(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2N2CCCCC12
|
C24H31N7O3 465.558000 |
CEMBQCFJEVCGEW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM472682; PubChem:CID138598469
|
Local ready
Direct docking supported
|
|
E3L019822
BDB019822
|
BDBM472683
CN1CCN(c2ccc(Nc3ncc4c(n3)N3C(=NCCC35CCCCC5)C=C4)nc2)CC1
|
C25H32N8 444.587000 |
IQXZJADJLYZGSK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM472683
|
Local ready
Direct docking supported
|
|
E3L019823
BDB019823
|
US10844038, Example 46 B.
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C[C@H]1SSC[C@H]1O
|
C21H19N5O2S2 437.550000 |
UORAPQCBWYIISR-IAGOWNOFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM473172; PubChem:CID152040861
|
Local ready
Direct docking supported
|
|
E3L019824
BDB019824
|
US10844044, Example 92
Cc1ccccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
|
C26H24Cl2N4O 479.411000 |
RHGYLKDWASNERE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473191; PubChem:CID146456817
|
Local ready
Direct docking supported
|
|
E3L019825
BDB019825
|
US10844044, Example 183
CCOc1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(C)c2)c1
|
C22H25ClN4O2 412.921000 |
SPWRKNPIYYHHOE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473192; PubChem:CID146455921
|
Local ready
Direct docking supported
|
|
E3L019826
BDB019826
|
US10844044, Example 275
Cc1cc([C@@H](NC(=O)c2cc(CN3CCOC3=N)cc(-c3cn(C(C)C)nc3C(F)(F)F)c2)C2CC2)ccc1F
|
C29H31F4N5O2 557.592000 |
SMCRFJSYTSPBMP-VWLOTQADSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473193; PubChem:CID146456160
|
Local ready
Direct docking supported
|
|
E3L019827
BDB019827
|
US10844044, Example 2
COc1ncc(C)cc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NC(c2cc(C)ccn2)C2CC2)c1
|
C29H32N6O2 496.615000 |
JVLGUFGOOHDVOV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473194; PubChem:CID146456935
|
Local ready
Direct docking supported
|
|
E3L019828
BDB019828
|
US10844044, Example 93
COc1ccnc([C@H](NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)C2CC2)c1
|
C29H30FN5O2 499.590000 |
JMMNYJULKRGWMJ-HHHXNRCGSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473195; PubChem:CID146456264
|
Local ready
Direct docking supported
|
|
E3L019829
BDB019829
|
US10844044, Example 184
COc1cc(-c2cc(Cn3ccn(C)c3=N)cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)c(F)cn1
|
C25H22Cl2FN5O2 514.388000 |
RKKFZAOPNHOZNW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473196; PubChem:CID146455708
|
Local ready
Direct docking supported
|
|
E3L019830
BDB019830
|
US10844044, Example 276
CCn1cc(-c2cc(CN3CCOC3=N)cc(C(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)c2)c(C(F)(F)F)n1
|
C28H29F4N5O2 543.565000 |
PVNNFXRYMGEMDB-DEOSSOPVSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473197; PubChem:CID146455896
|
Local ready
Direct docking supported
|
|
E3L019831
BDB019831
|
US10844044, Example 3
Cc1ccnc(C(NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)nc3C)c2)C2CC2)c1
|
C28H29FN6O 484.579000 |
RJOWQRHZMOOCGJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473198; PubChem:CID146456009
|
Local ready
Direct docking supported
|
|
E3L019832
BDB019832
|
US10844044, Example 94
Cc1cc([C@@H](NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ncnc4c3CCCC4)c2)C2CC2)ccc1F
|
C31H33FN6O 524.644000 |
ROCUMSDYZKAHSN-NDEPHWFRSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473199; PubChem:CID146455914
|
Local ready
Direct docking supported
|
|
E3L019833
BDB019833
|
US10844044, Example 185
Cc1cc([C@@H](NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C#N)c2)C2CC2)ccc1F
|
C30H27F2N5O 511.576000 |
DCRBYUPUTDSYIN-NDEPHWFRSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473200; PubChem:CID146456481
|
Local ready
Direct docking supported
|
|
E3L019834
BDB019834
|
US10844044, Example 277
Cc1cc(F)ccc1-c1cc(Cn2ccoc2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
|
C24H19Cl2FN4O2 485.346000 |
WQEDAJCUQKKQFJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473201; PubChem:CID146455751
|
Local ready
Direct docking supported
|
|
E3L019835
BDB019835
|
US10844044, Example 4
COc1ccnc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3cc(C)cnc3OC)c2)c1
|
C26H28N6O3 472.549000 |
UQJAMEZWLARBAO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473202; PubChem:CID146456425
|
Local ready
Direct docking supported
|
|
E3L019836
BDB019836
|
US10844044, Example 95
Cc1ccnc(C(NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ncnc4c3CCCC4)c2)C2CC2)c1
|
C30H33N7O 507.642000 |
CIRBGGNVSKVRDD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473203; PubChem:CID146457146
|
Local ready
Direct docking supported
|
|
E3L019837
BDB019837
|
US10844044, Example 186
Cn1ccn(Cc2cc(C(=O)NC3(c4cccc(Br)c4)CCC3)c(F)c(-c3ccc(F)cc3C(F)(F)F)c2)c1=N
|
C29H24BrF5N4O 619.432000 |
WTOJAMPKAKOIJC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473204; PubChem:CID146455725
|
Local ready
Direct docking supported
|
|
E3L019838
BDB019838
|
US10844044, Example 278
Cc1cc([C@@H](NC(=O)c2cc(CN3CCOC3=N)cc(-c3cn(CC(C)C)nc3C(F)(F)F)c2)C2CC2)ccc1F
|
C30H33F4N5O2 571.619000 |
QHERLUOFQGCXST-SANMLTNESA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473205; PubChem:CID146456151
|
Local ready
Direct docking supported
|
|
E3L019839
BDB019839
|
US10844044, Example 5
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
|
C25H22Cl2FN5O 498.389000 |
IULMWXZOYMXUER-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473206; PubChem:CID146457653
|
Local ready
Direct docking supported
|
|
E3L019840
BDB019840
|
US10844044, Example 96
COc1cc(OC)cc(C(NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ncnc4c3CCCC4)c2)C2CC2)c1
|
C32H36N6O3 552.679000 |
LWWOVMAPSPWFBM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM473207; PubChem:CID146456434
|
Local ready
Direct docking supported
|