| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022561
BDB022561
|
BDBM525660
C[C@@H]1CN(c2ccc(-c3c(F)ccc(C#N)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C27H24F5N5O2 545.512000 |
DKVQFFPGQHRJEL-GASCZTMLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525660; PubChem:CID137376535
|
Local ready
Direct docking supported
|
|
E3L022562
BDB022562
|
BDBM525661
C[C@@H]1CN(c2ccc(-c3cc(CNC4CCCCC4)c(F)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H38F5N5O2 631.690000 |
MNVVEWJMRBOLGO-BGYRXZFFSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525661; PubChem:CID137376411
|
Local ready
Direct docking supported
|
|
E3L022563
BDB022563
|
BDBM525662
CN1CCN(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1=O
|
C31H31F4N5O4 613.612000 |
AJEAVPDKUNNESV-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525662; PubChem:CID138558057
|
Local ready
Direct docking supported
|
|
E3L022564
BDB022564
|
BDBM525663
CC1CN(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C32H35F4N5O3 613.656000 |
VXGCJYUYWWUXJH-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525663; PubChem:CID137376417
|
Local ready
Direct docking supported
|
|
E3L022565
BDB022565
|
BDBM525664
C[C@@H]1CN(c2ccc(-c3ccc(OCC4CC4)nc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C29H31F4N5O3 573.591000 |
CLIGIUJNVZBOLZ-CALCHBBNSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525664; PubChem:CID137376477
|
Local ready
Direct docking supported
|
|
E3L022566
BDB022566
|
BDBM525665
C[C@@H]1CN(c2ccc(-c3ccc(F)c(CNC4CCCCC4)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H38F5N5O2 631.690000 |
KJAOKRDAZACUNM-BGYRXZFFSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525665; PubChem:CID137376416
|
Local ready
Direct docking supported
|
|
E3L022567
BDB022567
|
BDBM525666
CN1CCN(c2ncc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H30F4N6O3 574.579000 |
UOZGJWWPIWCEJI-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525666; PubChem:CID138558095
|
Local ready
Direct docking supported
|
|
E3L022568
BDB022568
|
BDBM525667
CN1CCN(c2ncc(-c3cc(CNC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H34F4N6O2 586.634000 |
KMZWIGDLQWYHNE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525667; PubChem:CID137376480
|
Local ready
Direct docking supported
|
|
E3L022569
BDB022569
|
BDBM525669
CN(C)C1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C1
|
C30H33F4N5O3 587.618000 |
REFBTSPNEOVMBZ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525669; PubChem:CID138558047
|
Local ready
Direct docking supported
|
|
E3L022570
BDB022570
|
BDBM525670
CN1CCCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O3 587.618000 |
HUNQCTSTGWMXHS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525670; PubChem:CID137377214
|
Local ready
Direct docking supported
|
|
E3L022571
BDB022571
|
US11174250, Example 89
CN1CCCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)CC1
|
C31H35F4N5O3 601.645000 |
XYQKOKXWCZHAJW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525671; PubChem:CID137377325
|
Local ready
Direct docking supported
|
|
E3L022572
BDB022572
|
BDBM525672
CNC(=O)c1ccc(F)c(-c2ccc(N3C[C@@H](C)N(C)[C@@H](C)C3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)c1
|
C28H29F4N5O3 559.564000 |
IAZCPSRSJSAWDY-IYBDPMFKSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525672; PubChem:CID138558059
|
Local ready
Direct docking supported
|
|
E3L022573
BDB022573
|
US11174250, Example 91
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCC(N(C)C)C2)cc(C)c1F
|
C32H38F2N4O2 548.678000 |
SMKWFQLMCHIGQB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525673; PubChem:CID138558107
|
Local ready
Direct docking supported
|
|
E3L022574
BDB022574
|
US11174250, Example 92
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCCN(C)CC2)cc(C)c1F
|
C32H38F2N4O2 548.678000 |
GHKWSNRRDKKPLQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525674; PubChem:CID137376507
|
Local ready
Direct docking supported
|
|
E3L022575
BDB022575
|
BDBM525675
C[C@@H]1CN(c2ccc(-c3cc(C(=O)NC4CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C30H31F4N5O3 585.602000 |
JWPMQFAQNDYLNU-CALCHBBNSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525675; PubChem:CID137376706
|
Local ready
Direct docking supported
|
|
E3L022576
BDB022576
|
US11174250, Example 94
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CC3CN(C)CC3C2)cc(C)c1F
|
C33H38F2N4O2 560.689000 |
FPFQFUXPTOREAD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525676; PubChem:CID138558079
|
Local ready
Direct docking supported
|
|
E3L022577
BDB022577
|
US11174250, Example 95
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(CC(F)(F)F)CC2)cc(C)c1F
|
C32H35F5N4O2 602.648000 |
DHCLLDQUEBPRCB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525677; PubChem:CID137376420
|
Local ready
Direct docking supported
|
|
E3L022578
BDB022578
|
US11174250, Example 96
C[C@H]1CN(c2ccc(-c3ncccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C24H23F4N5O2 489.473000 |
CNQJAZWPIYTABC-AWEZNQCLSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525678; PubChem:CID137376461
|
Local ready
Direct docking supported
|
|
E3L022579
BDB022579
|
BDBM525679
O=C(Nc1cc(-c2cc(CN3CCOCC3)ccc2F)ccc1N1CCN(CC(F)(F)F)CC1)c1c[nH]c(=O)cc1C(F)(F)F
|
C30H30F7N5O3 641.588000 |
VUXNDTHYMVUCTO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525679; PubChem:CID138558043
|
Local ready
Direct docking supported
|
|
E3L022580
BDB022580
|
BDBM525680
CN1CCN(c2c(F)cc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H30F5N5O3 591.581000 |
FNMIGKXNLZEIGZ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525680; PubChem:CID138558061
|
Local ready
Direct docking supported
|