| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022581
BDB022581
|
BDBM525681
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)c(F)c2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H30F5N5O3 591.581000 |
PEHSNIFVIAESBC-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525681; PubChem:CID138558058
|
Local ready
Direct docking supported
|
|
E3L022582
BDB022582
|
BDBM525682
CN1CC2CN(c3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2C1
|
C31H33F4N5O3 599.629000 |
KVGWISGIDMJMCJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM525682
|
Local ready
Direct docking supported
|
|
E3L022583
BDB022583
|
US11174250, Example 101
CN(C)C1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)C1
|
C31H35F4N5O3 601.645000 |
YKWQWMBSYUCMLT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525683; PubChem:CID137376764
|
Local ready
Direct docking supported
|
|
E3L022584
BDB022584
|
US11174250, Example 102
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cc(F)cc3[nH]cnc23)CC1
|
C30H32F2N6O2 546.622000 |
ZONWONWYQRHXFI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525684; PubChem:CID137376400
|
Local ready
Direct docking supported
|
|
E3L022585
BDB022585
|
US11174250, Example 103
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2nc3ccccc3[nH]2)CC1
|
C30H33FN6O2 528.632000 |
IVRANXJUYMIUKO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525685; PubChem:CID138558106
|
Local ready
Direct docking supported
|
|
E3L022586
BDB022586
|
BDBM525687
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2ccc(=O)[nH]c2)CC1
|
C28H32FN5O3 505.594000 |
UMGLYFUYPLXUEU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525687; PubChem:CID137376651
|
Local ready
Direct docking supported
|
|
E3L022587
BDB022587
|
US11174250, Example 106
CC(=O)Nc1cc(C)c(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C31H37FN6O3 560.674000 |
FSZYZDCGGYNVDQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525688; PubChem:CID137376745
|
Local ready
Direct docking supported
|
|
E3L022588
BDB022588
|
US11174250, Example 107
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C34H40F4N6O2 640.726000 |
HHZIAOCNJDXBOK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525689; PubChem:CID137376466
|
Local ready
Direct docking supported
|
|
E3L022589
BDB022589
|
US11174250, Example 108
CNc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C30H34F4N6O2 586.634000 |
AKPOZBSWTYUTFS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525690; PubChem:CID137377548
|
Local ready
Direct docking supported
|
|
E3L022590
BDB022590
|
US11174250, Example 109
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cnc(N)cc2C(F)(F)F)CC1
|
C29H32F4N6O2 572.607000 |
NHGMXRRRHPDJNK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525691; PubChem:CID137376399
|
Local ready
Direct docking supported
|
|
E3L022591
BDB022591
|
BDBM525692
CN1CCN(c2ccc(-c3cc(C(=O)N(C)C4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C32H35F4N5O3 613.656000 |
LSSYDYCCKSSRBW-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525692; PubChem:CID137376437
|
Local ready
Direct docking supported
|
|
E3L022592
BDB022592
|
BDBM525693
C[C@@H]1CN(c2ccc(-c3cc(C(=O)N(C)C4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C34H39F4N5O3 641.710000 |
OYQKINJAVGKCOA-OYRHEFFESA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525693; PubChem:CID137376370
|
Local ready
Direct docking supported
|
|
E3L022593
BDB022593
|
BDBM525694
C[C@@H]1CN(c2ccc(-c3ccc(F)c(CN(C)C4COC4)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H34F5N5O3 619.635000 |
FTBJXCRROBRPAE-HDICACEKSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM525694
|
Local ready
Direct docking supported
|
|
E3L022594
BDB022594
|
BDBM525695
C[C@@H]1CN(c2ccc(-c3cc(CN(C)C4COC4)c(F)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H34F5N5O3 619.635000 |
VVBMHXNZBCWKFJ-HDICACEKSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM525695
|
Local ready
Direct docking supported
|
|
E3L022595
BDB022595
|
BDBM525696
C[C@@H]1CN(c2ccc(-c3c(F)ccc(CNC4CCCCC4)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H38F5N5O2 631.690000 |
VSFCYUIJDUEDOP-BGYRXZFFSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525696; PubChem:CID137376513
|
Local ready
Direct docking supported
|
|
E3L022596
BDB022596
|
BDBM525697
C[C@@H]1CN(c2ccc(-c3c(F)cc(CNC4CCCCC4)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H38F5N5O2 631.690000 |
ZVPQRCAFKKWFMR-BGYRXZFFSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525697; PubChem:CID137376346
|
Local ready
Direct docking supported
|
|
E3L022597
BDB022597
|
US11174250, Example 117
C[C@@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C27H27F4N5O3 545.537000 |
BZXCPENKFALFHT-GASCZTMLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525699; PubChem:CID138558083
|
Local ready
Direct docking supported
|
|
E3L022598
BDB022598
|
US11174250, Example 118
C[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C30H33F4N5O3 587.618000 |
GTOLGZZOPRZMBN-KDURUIRLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525700; PubChem:CID138558068
|
Local ready
Direct docking supported
|
|
E3L022599
BDB022599
|
BDBM525701
C[C@@H]1CN(c2ccc(-c3cc(C(N)=O)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C27H27F4N5O3 545.537000 |
JQOGQOSHAYKGBW-GASCZTMLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525701; PubChem:CID137376439
|
Local ready
Direct docking supported
|
|
E3L022600
BDB022600
|
US11174250, Example 120
C[C@@H]1CN(c2ccc(-c3cc(C(=O)NC(C)(C)CC(C)(C)C)c(F)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C35H42F5N5O3 675.743000 |
GHJDRILZTRXSSQ-BGYRXZFFSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525702; PubChem:CID137376362
|
Local ready
Direct docking supported
|