| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020621
BDB020621
|
BDBM490164
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccnn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O3 502.619000 |
GLKGLRSTRJUZRY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490164; PubChem:CID138733448
|
Local ready
Direct docking supported
|
|
E3L020622
BDB020622
|
BDBM490165
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cnn(C)c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O3 502.619000 |
KYYIDJYTFFSUJD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490165; PubChem:CID138733555
|
Local ready
Direct docking supported
|
|
E3L020623
BDB020623
|
BDBM490166
COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c(F)c1
|
C31H35FN4O4 546.643000 |
UYIKCPYGVFNYRQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490166; PubChem:CID139311493
|
Local ready
Direct docking supported
|
|
E3L020624
BDB020624
|
BDBM490167
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cnn(C5CCNCC5)c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C32H41N7O3 571.726000 |
HOUIKHXWCWRGEF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490167; PubChem:CID139311061
|
Local ready
Direct docking supported
|
|
E3L020625
BDB020625
|
BDBM490168
Cc1cc(C)c(CNC(=O)c2cc3cc(C4=CCNCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H37N5O3 503.647000 |
ZQZKPYZSZBTUES-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490168; PubChem:CID139311474
|
Local ready
Direct docking supported
|
|
E3L020626
BDB020626
|
BDBM490169
Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCNCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H39N5O3 505.663000 |
GUFYZNVCNOTCGB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490169; PubChem:CID139311157
|
Local ready
Direct docking supported
|
|
E3L020627
BDB020627
|
BDBM490170
Cc1cc(C)c(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H36N4O4 504.631000 |
OFWGCUKWWGGUOY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490170; PubChem:CID134340668
|
Local ready
Direct docking supported
|
|
E3L020628
BDB020628
|
BDBM490171
Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H38N4O4 506.647000 |
NNZBCBWSCYPIDV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490171; PubChem:CID134340663
|
Local ready
Direct docking supported
|
|
E3L020629
BDB020629
|
BDBM490172
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccnc4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C32H40N6O2 540.712000 |
ONKDEASSZYWTNV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490172; PubChem:CID138733505
|
Local ready
Direct docking supported
|
|
E3L020630
BDB020630
|
BDBM490173
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cscn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C27H31N5O3S 505.644000 |
WETCZOJPSBRKQD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490173; PubChem:CID138733468
|
Local ready
Direct docking supported
|
|
E3L020631
BDB020631
|
BDBM490174
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccccn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H33N5O3 499.615000 |
UVXDMDIRSFUGFM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490174; PubChem:CID139311435
|
Local ready
Direct docking supported
|
|
E3L020632
BDB020632
|
BDBM490176
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nc5c(s4)CNCC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C30H36N6O3S 560.724000 |
FDVQYFRCEOHLTM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490176
|
Local ready
Direct docking supported
|
|
E3L020633
BDB020633
|
BDBM490177
Cc1cc(C)c(CNC(=O)c2cc3c(Br)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C24H29BrN4O3 501.425000 |
IPEOTZKRDGQFHQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490177; PubChem:CID134340702
|
Local ready
Direct docking supported
|
|
E3L020634
BDB020634
|
BDBM490178
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1
|
C24H30N4O3 422.529000 |
OQLZKNDZVZGGFU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490178; PubChem:CID138733373
|
Local ready
Direct docking supported
|
|
E3L020635
BDB020635
|
BDBM490179
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12)C1CCOCC1
|
C25H32N4O3 436.556000 |
XMHQDJIIYQKXFR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490179; PubChem:CID134340754
|
Local ready
Direct docking supported
|
|
E3L020636
BDB020636
|
BDBM490180
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1
|
C24H29BrN4O3 501.425000 |
ZIRAPNMIBKMINS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490180; PubChem:CID134340670
|
Local ready
Direct docking supported
|
|
E3L020637
BDB020637
|
BDBM490181
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCOCC1
|
C25H31BrN4O3 515.452000 |
GGAJSBWADHJQTR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490181; PubChem:CID134340409
|
Local ready
Direct docking supported
|
|
E3L020638
BDB020638
|
BDBM490182
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1COC1
|
C23H27BrN4O3 487.398000 |
RSJBEHGOKSTIBU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490182; PubChem:CID134340455
|
Local ready
Direct docking supported
|
|
E3L020639
BDB020639
|
BDBM490183
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CNC1
|
C23H28BrN5O2 486.414000 |
UIZWNSSTIQYCTB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490183; PubChem:CID134340841
|
Local ready
Direct docking supported
|
|
E3L020640
BDB020640
|
BDBM490184
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCNCC1
|
C25H32BrN5O2 514.468000 |
UUNAUJLTZLIBCW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490184; PubChem:CID134340486
|
Local ready
Direct docking supported
|