| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022481
BDB022481
|
BDBM525575
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
HJPMPWYSTRBBLP-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525575; PubChem:CID138558096
|
Local ready
Direct docking supported
|
|
E3L022482
BDB022482
|
BDBM525577
CN1CCN(c2ccc(-c3cccc(CN4CCC(F)CC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O2 571.619000 |
KKEXEXDHWKMRQV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525577; PubChem:CID138578236
|
Local ready
Direct docking supported
|
|
E3L022483
BDB022483
|
BDBM525578
CN1CCN(c2ccc(-c3cc(CN4CCC(F)CC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H32F5N5O2 589.609000 |
LCHGERIHAPDZCU-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525578; PubChem:CID137376640
|
Local ready
Direct docking supported
|
|
E3L022484
BDB022484
|
BDBM525579
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3Cl)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31ClF3N5O3 590.046000 |
FOAUMOZOTVHACR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525579; PubChem:CID138558070
|
Local ready
Direct docking supported
|
|
E3L022485
BDB022485
|
BDBM525581
CN1CCN(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3Cl)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H33ClF3N5O3 616.084000 |
QYUSSNJDVILCJQ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525581; PubChem:CID138558094
|
Local ready
Direct docking supported
|
|
E3L022486
BDB022486
|
BDBM525582
CN1CCN(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H33F4N5O3 599.629000 |
GLHJOTVYVUCLQO-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525582; PubChem:CID137376500
|
Local ready
Direct docking supported
|
|
E3L022487
BDB022487
|
BDBM525583
C[C@@H]1CN(Cc2ccc(F)c(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)c2)C[C@H](C)O1
|
C31H35F4N5O3 601.645000 |
UWDXJOIFTJGVGJ-BGYRXZFFSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525583; PubChem:CID138558048
|
Local ready
Direct docking supported
|
|
E3L022488
BDB022488
|
BDBM525585
COCOc1cc(F)c(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)cc1C(=O)NC(C)(C)CC(C)(C)C
|
C35H43F4N5O5 689.751000 |
YOZWQAYOZCWKIG-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM525585
|
Local ready
Direct docking supported
|
|
E3L022489
BDB022489
|
BDBM525586
CN1CCN(c2ccc(-c3cc(C(N)=O)c(O)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C25H23F4N5O4 533.482000 |
CVIREEPRCSCSPK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525586; PubChem:CID138558078
|
Local ready
Direct docking supported
|
|
E3L022490
BDB022490
|
BDBM525587
CN1CCN(c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C25H21F7N4O3 558.454000 |
YKVYRIFLGNVFKL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525587; PubChem:CID137376422
|
Local ready
Direct docking supported
|
|
E3L022491
BDB022491
|
BDBM525588
CC(C)COc1ccc(F)c(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)c1
|
C28H30F4N4O3 546.565000 |
ZXGPMNRFVXJEBT-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525588; PubChem:CID137376442
|
Local ready
Direct docking supported
|
|
E3L022492
BDB022492
|
BDBM525589
CN1CCN(c2ccc(-c3cc(CNC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C31H35F4N5O2 585.646000 |
SYLSWCJVGKVJRP-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525589; PubChem:CID138558084
|
Local ready
Direct docking supported
|
|
E3L022493
BDB022493
|
BDBM525590
CN1CCN(c2ccc(-c3ccc(OC4CCOCC4)nc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C28H29F4N5O4 575.563000 |
BKPFEHCOJLAUMD-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525590; PubChem:CID138558069
|
Local ready
Direct docking supported
|
|
E3L022494
BDB022494
|
BDBM525591
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2ccc(=O)[nH]n2)CC1
|
C27H31FN6O3 506.582000 |
XSDWUEUWCFEPKR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525591; PubChem:CID138558060
|
Local ready
Direct docking supported
|
|
E3L022495
BDB022495
|
US11174250, Example 10
COc1cccc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)c1
|
C30H35FN4O3 518.633000 |
YISLEUASYBXZOU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525592; PubChem:CID138558056
|
Local ready
Direct docking supported
|
|
E3L022496
BDB022496
|
US11174250, Example 11
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)cc(C)c1F
|
C31H36F2N4O2 534.651000 |
CRJVRDBFAYGWJT-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525593; PubChem:CID137376385
|
Local ready
Direct docking supported
|
|
E3L022497
BDB022497
|
US11174250, Example 12
Cc1c(F)ccc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)c1Cl
|
C30H33ClF2N4O2 555.069000 |
GNGFABMWVXAILW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525594; PubChem:CID137376624
|
Local ready
Direct docking supported
|
|
E3L022498
BDB022498
|
US11174250, Example 13
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O3 587.618000 |
KYEHLKFNXJSZRC-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525595; PubChem:CID137376569
|
Local ready
Direct docking supported
|
|
E3L022499
BDB022499
|
BDBM525596
COC(=O)c1ccc(F)c(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)c1
|
C26H24F4N4O4 532.494000 |
NCLMJGKDCMDFOZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525596; PubChem:CID138558085
|
Local ready
Direct docking supported
|
|
E3L022500
BDB022500
|
BDBM525597
CN1CCN(c2ccc(-c3cc(OCC4CC4)ncc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H27F4N5O3 545.537000 |
MCGJZXZCEBZTRU-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525597; PubChem:CID138558054
|
Local ready
Direct docking supported
|