| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022501
BDB022501
|
BDBM525598
CN1CCN(c2ccc(-c3ccc(OCC4CC4)nc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H27F4N5O3 545.537000 |
LRFLJHLBEGFWNW-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525598; PubChem:CID138558051
|
Local ready
Direct docking supported
|
|
E3L022502
BDB022502
|
BDBM525599
CN1CCN(c2ccc(-c3cc(CNC4CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H29F4N5O2 543.565000 |
HOCSMKQNXKCYNP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525599; PubChem:CID138558110
|
Local ready
Direct docking supported
|
|
E3L022503
BDB022503
|
US11174250, Example 18
Cc1cc(C(=O)Nc2cc(-c3cc(CNC4CCCCC4)ccc3F)ccc2N2CCN(C)CC2)cc(C)c1F
|
C33H40F2N4O 546.706000 |
VMFLEEZZDJFXSN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525600; PubChem:CID137376297
|
Local ready
Direct docking supported
|
|
E3L022504
BDB022504
|
US11174250, Example 19
Cc1cc(C(=O)Nc2cc(-c3ccc(OC4CCOCC4)nc3F)ccc2N2CCN(C)CC2)cc(C)c1F
|
C30H34F2N4O3 536.623000 |
SELRACPBIBUEEF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525601; PubChem:CID137376265
|
Local ready
Direct docking supported
|
|
E3L022505
BDB022505
|
US11174250, Example 20
CCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)nn1
|
C30H34F4N6O3 602.633000 |
JRYDJOKWCMXIJP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525602; PubChem:CID137376333
|
Local ready
Direct docking supported
|
|
E3L022506
BDB022506
|
BDBM525603
CN1CCN(c2ccc(-c3cc(OCC4CC4)c(F)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H27F5N4O3 562.539000 |
VXJQBCFPOAUKDT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525603; PubChem:CID137376430
|
Local ready
Direct docking supported
|
|
E3L022507
BDB022507
|
BDBM525604
CN1CCN(c2ccc(-c3ccc(N4CCCC4)nc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H28F4N6O2 544.553000 |
BNEXOFUXQOASJO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525604; PubChem:CID138558052
|
Local ready
Direct docking supported
|
|
E3L022508
BDB022508
|
BDBM525605
CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
GZJGZRQNIYCCKJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525605; PubChem:CID137376647
|
Local ready
Direct docking supported
|
|
E3L022509
BDB022509
|
US11174250, Example 24
Cc1cccc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)c1
|
C30H35FN4O2 502.634000 |
XZDAYUHSZSKJGF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525606; PubChem:CID138558045
|
Local ready
Direct docking supported
|
|
E3L022510
BDB022510
|
BDBM525607
CN1CCN(c2ccc(-c3ccccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C24H22F4N4O2 474.458000 |
BZGTYEKCVKLBKA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525607; PubChem:CID138558082
|
Local ready
Direct docking supported
|
|
E3L022511
BDB022511
|
BDBM525608
CC1CN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
|
C30H33F4N5O3 587.618000 |
DXVHKVAAZWOGEQ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525608; PubChem:CID138558127
|
Local ready
Direct docking supported
|
|
E3L022512
BDB022512
|
BDBM525609
C[C@@H]1CN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H35F4N5O3 601.645000 |
XOODMKHLHHLZMP-BGYRXZFFSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525609; PubChem:CID138558050
|
Local ready
Direct docking supported
|
|
E3L022513
BDB022513
|
BDBM525610
C[C@H]1CN(C)CCN1c1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F
|
C30H33F4N5O3 587.618000 |
VRIPOKILOHMLOS-IBGZPJMESA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525610; PubChem:CID138558067
|
Local ready
Direct docking supported
|
|
E3L022514
BDB022514
|
BDBM525611
Cc1cc(=O)[nH]cc1C(=O)Nc1cc(-c2cc(CN3CCOCC3)ccc2F)ccc1N1CCN(C)CC1
|
C29H34FN5O3 519.621000 |
VWJOEOAQIKTGBE-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525611; PubChem:CID137376448
|
Local ready
Direct docking supported
|
|
E3L022515
BDB022515
|
BDBM525612
CN1CCN(c2cc(F)c(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H30F5N5O3 591.581000 |
JYVWWLIWJLNTAD-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525612; PubChem:CID138541729
|
Local ready
Direct docking supported
|
|
E3L022516
BDB022516
|
BDBM525613
CN1CCN(c2ccc(-c3cc(OC4CCOCC4)ncc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H29F4N5O4 575.563000 |
ACXYOZFCRYNCTJ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525613; PubChem:CID138558065
|
Local ready
Direct docking supported
|
|
E3L022517
BDB022517
|
BDBM525615
CN1CCN(c2ccc(-c3ccc(CNC4CCCC4)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O2 571.619000 |
HEBOREHIASXCQK-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525615; PubChem:CID138558081
|
Local ready
Direct docking supported
|
|
E3L022518
BDB022518
|
BDBM525616
CN1CCN(c2ccc(-c3ccc(CNC4CCCCC4)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H35F4N5O2 585.646000 |
BWGYDAIKRMRFTQ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525616; PubChem:CID138558098
|
Local ready
Direct docking supported
|
|
E3L022519
BDB022519
|
BDBM525617
CN1CCN(c2ccc(-c3cc(CNC(C)(C)C)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H33F4N5O2 559.608000 |
KFTPIHQLXRHCSW-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525617; PubChem:CID137376728
|
Local ready
Direct docking supported
|
|
E3L022520
BDB022520
|
US11174250, Example 36
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)ccc1F
|
C30H34F2N4O2 520.624000 |
KQIMORZBKVLGNE-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525618; PubChem:CID137376652
|
Local ready
Direct docking supported
|