| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022521
BDB022521
|
BDBM525619
CN1CCN(c2ccc(-c3cc(CNC4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C30H33F4N5O3 587.618000 |
AVUKHGKRUAUGJG-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525619; PubChem:CID137376620
|
Local ready
Direct docking supported
|
|
E3L022522
BDB022522
|
BDBM525620
CN1CCN(c2ccc(-c3ccc(CN4CCOCC4)cc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
RZMHVRYMGMZVQU-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525620; PubChem:CID138558089
|
Local ready
Direct docking supported
|
|
E3L022523
BDB022523
|
BDBM525621
CN1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H28F4N6O3 560.552000 |
LPAXCQJMGILCNC-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525621; PubChem:CID138558042
|
Local ready
Direct docking supported
|
|
E3L022524
BDB022524
|
BDBM525622
CN(C)Cc1ccc(F)c(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)c1
|
C27H29F4N5O2 531.554000 |
GXQQAULZONMYCT-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525622; PubChem:CID137376608
|
Local ready
Direct docking supported
|
|
E3L022525
BDB022525
|
US11174250, Example 41
Cc1cc(C(=O)Nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2N2CCN(C)CC2)cc(C(F)(F)F)c1F
|
C31H33F5N4O2 588.621000 |
BOVKVTDVQGJRCJ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525623; PubChem:CID137376698
|
Local ready
Direct docking supported
|
|
E3L022526
BDB022526
|
US11174250, Example 42
CN1CCN(c2ccc(-c3cc(CNC4CCC(F)(F)CC4)ccc3F)cc2NC(=O)c2cnc(OCC[Si](C)(C)C)cc2C(F)(F)F)CC1
|
C36H45F6N5O2Si 721.863000 |
HGPCPTVSTUVIQI-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525624; PubChem:CID141655775
|
Local ready
Direct docking supported
|
|
E3L022527
BDB022527
|
BDBM525625
CN1CCN(c2ccc(-c3cc(CN(C)C4COC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F4N5O3 573.591000 |
RZGVKGLIYMLVJM-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525625; PubChem:CID137376510
|
Local ready
Direct docking supported
|
|
E3L022528
BDB022528
|
US11174250, Example 44
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2ccc(O)cc2C(F)(F)F)CC1
|
C30H32F4N4O3 572.603000 |
GDXSDWNVMRVNLW-UHFFFAOYSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525626; PubChem:CID137376359
|
Local ready
Direct docking supported
|
|
E3L022529
BDB022529
|
BDBM525627
C[C@@H]1CN(c2ccc(-c3cc(CNC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H39F4N5O2 613.700000 |
FWQWFEHDDXOZTR-OYRHEFFESA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525627; PubChem:CID137376529
|
Local ready
Direct docking supported
|
|
E3L022530
BDB022530
|
BDBM525628
C[C@@H]1CN(c2ccc(-c3cc(C(=O)NC4CCCCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C33H37F4N5O3 627.683000 |
YFITWOOGOWMDIU-BGYRXZFFSA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM525628; PubChem:CID138558063
|
Local ready
Direct docking supported
|
|
E3L022531
BDB022531
|
BDBM525629
C[C@@H]1CN(c2ccc(-c3cc(C(=O)N4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C31H33F4N5O4 615.628000 |
PXYKAAPFUGJXIV-KDURUIRLSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525629; PubChem:CID138558121
|
Local ready
Direct docking supported
|
|
E3L022532
BDB022532
|
US11174250, Example 48
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2cc(O)cc(F)c2F)CC1
|
C29H31F3N4O3 540.586000 |
LDZZELJKEFFULJ-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525630; PubChem:CID137376704
|
Local ready
Direct docking supported
|
|
E3L022533
BDB022533
|
BDBM525631
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)F)CC1
|
C29H32F3N5O3 555.601000 |
SNSKIDONUPQTCE-UHFFFAOYSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525631; PubChem:CID137376542
|
Local ready
Direct docking supported
|
|
E3L022534
BDB022534
|
BDBM525632
C[C@@H]1CN(c2ccc(-c3cc(OCC4CC4)ncc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H](C)N1C
|
C29H31F4N5O3 573.591000 |
GTMHTXCHHZKEHH-CALCHBBNSA-N | P61964, Q03164, Q15291 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525632; PubChem:CID137376487
|
Local ready
Direct docking supported
|
|
E3L022535
BDB022535
|
US11174250, Example 51
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(C=O)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C26H24F4N4O3 516.495000 |
JGDUXPQQVSSJAG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525633; PubChem:CID137376356
|
Local ready
Direct docking supported
|
|
E3L022536
BDB022536
|
US11174250, Example 52
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(N5CCOCC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C35H42F4N6O3 670.752000 |
LSYNGTFUYRULPD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525634; PubChem:CID137376354
|
Local ready
Direct docking supported
|
|
E3L022537
BDB022537
|
US11174250, Example 53
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CC[C@@H](C(C)C)C4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C33H39F4N5O2 613.700000 |
OMVDNRLZCSQGNL-XMMPIXPASA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525635; PubChem:CID137376301
|
Local ready
Direct docking supported
|
|
E3L022538
BDB022538
|
US11174250, Example 54
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(C(C)=O)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C32H36F4N6O3 628.671000 |
MLAYYWSYGKSRBO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525636; PubChem:CID137376288
|
Local ready
Direct docking supported
|
|
E3L022539
BDB022539
|
US11174250, Example 55
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(F)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C31H34F5N5O2 603.636000 |
OZSFVNHGPLWHND-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525637; PubChem:CID137376289
|
Local ready
Direct docking supported
|
|
E3L022540
BDB022540
|
US11174250, Example 56
COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4C5COCC4C5)ccc3F)ccc2N2CCN(C)CC2)cn1
|
C31H33F4N5O3 599.629000 |
KWJLATYORDQAOJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM525638; PubChem:CID137376318
|
Local ready
Direct docking supported
|