| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020661
BDB020661
|
BDBM490206
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccccc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C30H34N4O3 498.627000 |
SKNQGEMHTJBAEH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490206; PubChem:CID139311056
|
Local ready
Direct docking supported
|
|
E3L020662
BDB020662
|
BDBM490207
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3ccnn3C)cn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C30H36F3N7O3 599.658000 |
UJJKKFSHTYQIOK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490207
|
Local ready
Direct docking supported
|
|
E3L020663
BDB020663
|
BDBM490208
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccnn4C)cn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C30H36F3N7O2 583.659000 |
UFCXFDLVQZIFQU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490208; PubChem:CID138733655
|
Local ready
Direct docking supported
|
|
E3L020664
BDB020664
|
BDBM490210
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O3 502.619000 |
XBFHGUCJSLWEID-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490210; PubChem:CID138733452
|
Local ready
Direct docking supported
|
|
E3L020665
BDB020665
|
BDBM490213
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncs4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C27H31N5O3S 505.644000 |
AXAPGKOUPZREDG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490213; PubChem:CID138733402
|
Local ready
Direct docking supported
|
|
E3L020666
BDB020666
|
BDBM490215
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H34N6O3 514.630000 |
SYUIDTOKWLGRJL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490215; PubChem:CID138733420
|
Local ready
Direct docking supported
|
|
E3L020667
BDB020667
|
BDBM490216
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCNCC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C33H41N7O3 583.737000 |
QHSXMNWFQIMECU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490216; PubChem:CID138733558
|
Local ready
Direct docking supported
|
|
E3L020668
BDB020668
|
BDBM490217
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCN(C)CC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C34H43N7O3 597.764000 |
CGLIKRAQHXRKGW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490217; PubChem:CID139311063
|
Local ready
Direct docking supported
|
|
E3L020669
BDB020669
|
BDBM490218
COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC
|
C36H47N5O5 629.802000 |
PQNHUEFQYCFPCV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490218; PubChem:CID138733723
|
Local ready
Direct docking supported
|
|
E3L020670
BDB020670
|
BDBM490219
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccncc4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C32H40N6O2 540.712000 |
YUZRCTXYVUOZFA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490219; PubChem:CID138733611
|
Local ready
Direct docking supported
|
|
E3L020671
BDB020671
|
BDBM490220
COc1cc(OC)cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1
|
C32H38N4O5 558.679000 |
OZENOAJEUMVWCR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490220; PubChem:CID139311098
|
Local ready
Direct docking supported
|
|
E3L020672
BDB020672
|
BDBM490221
COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc1OC
|
C32H38N4O5 558.679000 |
IPHAVMNBTFJKBI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490221; PubChem:CID139311499
|
Local ready
Direct docking supported
|
|
E3L020673
BDB020673
|
BDBM490222
COc1cccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1
|
C31H36N4O4 528.653000 |
SSOLNAGXGLRSHI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490222; PubChem:CID138733592
|
Local ready
Direct docking supported
|
|
E3L020674
BDB020674
|
BDBM490223
COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc1
|
C31H36N4O4 528.653000 |
LAPJOPQWQFWDSW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490223; PubChem:CID138733483
|
Local ready
Direct docking supported
|
|
E3L020675
BDB020675
|
BDBM490224
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(C)CC3)c2C)c(=O)[nH]1
|
C25H32BrN5O2 514.468000 |
STUDFTUGABJZOR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490224; PubChem:CID138733508
|
Local ready
Direct docking supported
|
|
E3L020676
BDB020676
|
BDBM490225
CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc3cc(Br)cn23)CC1
|
C26H34BrN5O2 528.495000 |
WEOREXJLZJASQQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490225; PubChem:CID138733354
|
Local ready
Direct docking supported
|
|
E3L020677
BDB020677
|
BDBM490226
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCNCC3)c2C)c(=O)[nH]1
|
C24H30BrN5O2 500.441000 |
ALFJLXMQBWUUOO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490226; PubChem:CID134340701
|
Local ready
Direct docking supported
|
|
E3L020678
BDB020678
|
BDBM490227
CC(=O)N1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc3cc(Br)cn23)CC1
|
C26H32BrN5O3 542.478000 |
XLGQWXKZZYXJII-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490227; PubChem:CID134340715
|
Local ready
Direct docking supported
|
|
E3L020679
BDB020679
|
BDBM490228
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(C(=O)CO)CC3)c2C)c(=O)[nH]1
|
C26H32BrN5O4 558.477000 |
ZONUOOUWOCURNW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490228; PubChem:CID138733565
|
Local ready
Direct docking supported
|
|
E3L020680
BDB020680
|
BDBM490229
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(S(C)(=O)=O)CC3)c2C)c(=O)[nH]1
|
C25H32BrN5O4S 578.533000 |
DRWHAYAXEIQDEV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490229; PubChem:CID134340471
|
Local ready
Direct docking supported
|