| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020701
BDB020701
|
BDBM490252
Cc1cc(C)c(CNC(=O)c2cc3cc(C(=O)N4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H37N5O5 535.645000 |
ATOWQXBTVMVLJT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490252; PubChem:CID138733339
|
Local ready
Direct docking supported
|
|
E3L020702
BDB020702
|
BDBM490253
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccccc4)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C33H41N5O2 539.724000 |
RTZCXOLAUBSJSQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490253; PubChem:CID134340891
|
Local ready
Direct docking supported
|
|
E3L020703
BDB020703
|
BDBM490254
COc1cc(C)c(CNC(=O)c2cc3c(-c4ccccc4)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C33H41N5O3 555.723000 |
GYWSPHQLIAMJCS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490254; PubChem:CID177665952
|
Local ready
Direct docking supported
|
|
E3L020704
BDB020704
|
BDBM490255
COc1cc(C)c(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O3 559.715000 |
XTVMHIJLBMAYMD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490255; PubChem:CID177666542
|
Local ready
Direct docking supported
|
|
E3L020705
BDB020705
|
BDBM490256
COc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C27H36ClN5O3 514.070000 |
TXHGLIIRIZKNPL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490256; PubChem:CID177667766
|
Local ready
Direct docking supported
|
|
E3L020706
BDB020706
|
BDBM490258
COc1cc(C)c(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O4 518.618000 |
FRJSDKWPRPQICI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490258; PubChem:CID177667292
|
Local ready
Direct docking supported
|
|
E3L020707
BDB020707
|
BDBM490260
Cc1cc(C)c(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O2 543.716000 |
OXIJTLFJZJJOKQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490260; PubChem:CID177667620
|
Local ready
Direct docking supported
|
|
E3L020708
BDB020708
|
BDBM490261
COc1cc(C)c(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O3 559.715000 |
DMFQSXNLHYBWTO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490261; PubChem:CID177652076
|
Local ready
Direct docking supported
|
|
E3L020709
BDB020709
|
BDBM490262
Cc1cc(C)c(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCN(C(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C29H34F3N7O2 569.632000 |
SSIXYNZEWHPDFM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490262; PubChem:CID177666814
|
Local ready
Direct docking supported
|
|
E3L020710
BDB020710
|
BDBM490263
COc1cc(C)c(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C30H36F3N7O3 599.658000 |
ZWTBBKMVWOXIDT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490263
|
Local ready
Direct docking supported
|
|
E3L020711
BDB020711
|
BDBM490264
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C
|
C27H31N5O4S 521.643000 |
YPMDBWJNGPDXFS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490264; PubChem:CID138733528
|
Local ready
Direct docking supported
|
|
E3L020712
BDB020712
|
BDBM490265
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncs4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C30H38N6O2S 546.741000 |
KBMURKJFZIMVIR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490265; PubChem:CID134340902
|
Local ready
Direct docking supported
|
|
E3L020713
BDB020713
|
BDBM490266
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C
|
C30H38N6O3S 562.740000 |
OCXQPLBPNOXZGJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490266; PubChem:CID134340689
|
Local ready
Direct docking supported
|
|
E3L020714
BDB020714
|
BDBM490267
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncs4)cn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C29H33F3N6O2S 586.684000 |
XAFRMSSFMGXXQR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490267; PubChem:CID138733561
|
Local ready
Direct docking supported
|
|
E3L020715
BDB020715
|
BDBM490268
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C29H33F3N6O3S 602.683000 |
AYNGSJOQQOTZNX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490268; PubChem:CID138733457
|
Local ready
Direct docking supported
|
|
E3L020716
BDB020716
|
BDBM490269
COC1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc3cc(Br)cn23)CC1
|
C26H33BrN4O3 529.479000 |
JHTIYVMCSWNSPK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490269; PubChem:CID138733599
|
Local ready
Direct docking supported
|
|
E3L020717
BDB020717
|
BDBM490270
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(O)CC3)c2C)c(=O)[nH]1
|
C25H31BrN4O3 515.452000 |
CSYQYMJHTAIMSK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490270; PubChem:CID141698345
|
Local ready
Direct docking supported
|
|
E3L020718
BDB020718
|
BDBM490271
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(N4CCCC4)CC3)c2C)c(=O)[nH]1
|
C29H38BrN5O2 568.560000 |
UBTGJFKJFCUDMI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490271; PubChem:CID138733399
|
Local ready
Direct docking supported
|
|
E3L020719
BDB020719
|
BDBM490272
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(C#N)CC3)c2C)c(=O)[nH]1
|
C26H30BrN5O2 524.463000 |
HYBGINQOLBHWLC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490272; PubChem:CID134340664
|
Local ready
Direct docking supported
|
|
E3L020720
BDB020720
|
BDBM490273
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CC(N(C)C)C3)c2C)c(=O)[nH]1
|
C25H32BrN5O2 514.468000 |
OUDCMLVWALQQQQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490273; PubChem:CID138733424
|
Local ready
Direct docking supported
|