| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041301
BDB041301
|
US12421228, Example 16
Cn1nc(C#N)cc1C1=CN=C(NCC2C3=C(C=CC2F)OCC3)C2=CN=NCC21
|
C21H20FN7O 405.437000 |
WKUOKVRNBOKXRK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773544; PubChem:CID177859233
|
Local ready
Direct docking supported
|
|
E3L041302
BDB041302
|
US12421228, Example 17
Fc1ccc2c(c1CNc1ncc(-c3ccc4c(c3)CCNC4)c3cnncc13)CCO2
|
C25H22FN5O 427.483000 |
BAODCZYMDOWNBK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773545; PubChem:CID155235127
|
Local ready
Direct docking supported
|
|
E3L041303
BDB041303
|
US12421228, Example 18
CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12
|
C23H24FN7O 433.491000 |
MTVDKUBKWQXPGV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773546; PubChem:CID155235198
|
Local ready
Direct docking supported
|
|
E3L041304
BDB041304
|
US12421228, Example 19
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c(C)c1
|
C25H24FN5O 429.499000 |
GLBKZFNKGNLXBT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773547; PubChem:CID155235423
|
Local ready
Direct docking supported
|
|
E3L041305
BDB041305
|
US12421228, Example 20
CCNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c(C)c1
|
C26H26FN5O 443.526000 |
GJHDYBJXJHPEOY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773548; PubChem:CID155235129
|
Local ready
Direct docking supported
|
|
E3L041306
BDB041306
|
US12421228, Example 21
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
|
C24H22FN5O 415.472000 |
RJLWUEYCXCBJSN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773549; PubChem:CID155235318
|
Local ready
Direct docking supported
|
|
E3L041307
BDB041307
|
US12421228, Example 22
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cncnc23)n(C)n1
|
C21H19FN6O 390.422000 |
GKJLQZXHZBJDKX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773550; PubChem:CID155235281
|
Local ready
Direct docking supported
|
|
E3L041308
BDB041308
|
US12421228, Example 23
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cncnc23)cc1
|
C25H24FN5O 429.499000 |
XYXDGEYSDYKOSY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773551; PubChem:CID155239995
|
Local ready
Direct docking supported
|
|
E3L041309
BDB041309
|
US12421228, Example 24
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cncnc12
|
C26H26FN5O 443.526000 |
VBZCIUFXZVQLPA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773552; PubChem:CID155239996
|
Local ready
Direct docking supported
|
|
E3L041310
BDB041310
|
US12421228, Example 25
CN(C)Cc1ccc(-c2cnc(NCc3cccc4c3CCO4)c3cncnc23)cc1
|
C25H25N5O 411.509000 |
XAXWUCHEKLIUNW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773553; PubChem:CID155239992
|
Local ready
Direct docking supported
|
|
E3L041311
BDB041311
|
US12421228, Example 26
CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cncnc23)c(C)c1
|
C25H24FN5O 429.499000 |
LZEMURCGGNJUKM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773554; PubChem:CID155235573
|
Local ready
Direct docking supported
|
|
E3L041312
BDB041312
|
US12421228, Example 27
CSc1ncc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
|
C22H21FN6OS 436.516000 |
RVKDHDNGOSICJF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773555; PubChem:CID155235298
|
Local ready
Direct docking supported
|
|
E3L041313
BDB041313
|
US12421228, Example 28
COc1ncc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
|
C22H21FN6O2 420.448000 |
MKEJAHRWBRMGNE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773556; PubChem:CID155235152
|
Local ready
Direct docking supported
|
|
E3L041314
BDB041314
|
US12421228, Example 29
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnccc23)n(C)n1
|
C22H20FN5O 389.434000 |
SRZKNBCHWCIBEQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773557; PubChem:CID155235214
|
Local ready
Direct docking supported
|
|
E3L041315
BDB041315
|
US12421228, Example 30
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12
|
C27H27FN4O 442.538000 |
VYSHODZFFSWWHU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773558; PubChem:CID155239993
|
Local ready
Direct docking supported
|
|
E3L041316
BDB041316
|
US12421228, Example 31
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12
|
C25H22FN3O3S 463.534000 |
ROJJVRUACBCCNT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773559; PubChem:CID155239994
|
Local ready
Direct docking supported
|
|
E3L041317
BDB041317
|
US12421228, Example 32
CN(C)C(=O)c1cc(-c2cnc(NCC3C4=C(C=CC3F)OCC4)c3cnccc23)n(C)n1
|
C24H25FN6O2 448.502000 |
NOVABLLLEDAISS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773560; PubChem:CID177859234
|
Local ready
Direct docking supported
|
|
E3L041318
BDB041318
|
US12421228, Example 33
Cn1nc(C#N)cc1-c1cnc(NCC2C3=C(C=CC2F)OCC3)c2cnccc12
|
C22H19FN6O 402.433000 |
SUHPFPXEIGRVNE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773561; PubChem:CID177859235
|
Local ready
Direct docking supported
|
|
E3L041319
BDB041319
|
US12421228, Example 34
COc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
|
C23H22FN5O2 419.460000 |
OATMILPKWOYVFR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773562; PubChem:CID155235414
|
Local ready
Direct docking supported
|
|
E3L041320
BDB041320
|
US12421228, Example 35
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3c[nH]c(=O)cc23)n(C)n1
|
C22H20FN5O2 405.433000 |
RMWPZHPHFJXKTN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773563; PubChem:CID155239982
|
Local ready
Direct docking supported
|