| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020641
BDB020641
|
BDBM490185
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCN(C(C)=O)CC1
|
C27H34BrN5O3 556.505000 |
FYYXDFIRBNSRDM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490185; PubChem:CID138733383
|
Local ready
Direct docking supported
|
|
E3L020642
BDB020642
|
BDBM490186
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccccc3)cn12)C1CCOCC1
|
C31H36N4O3 512.654000 |
OUBJEAVMAFVMJH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490186; PubChem:CID139311088
|
Local ready
Direct docking supported
|
|
E3L020643
BDB020643
|
BDBM490187
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOCC1
|
C35H43N5O4 597.760000 |
BVSYXAGJLVUVPU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490187; PubChem:CID138733583
|
Local ready
Direct docking supported
|
|
E3L020644
BDB020644
|
BDBM490188
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccnn3C)cn12)C1CCOCC1
|
C29H36N6O3 516.646000 |
QEPXZUFGXVCIII-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490188; PubChem:CID138733413
|
Local ready
Direct docking supported
|
|
E3L020645
BDB020645
|
BDBM490189
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccn(C)c3)cn12)C1CCOCC1
|
C30H37N5O3 515.658000 |
LMCBJTBVHRGWIF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490189; PubChem:CID177668084
|
Local ready
Direct docking supported
|
|
E3L020646
BDB020646
|
BDBM490190
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3nccs3)cn12)C1CCOCC1
|
C28H33N5O3S 519.671000 |
JKWNEZNTHMVBRJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490190; PubChem:CID134340434
|
Local ready
Direct docking supported
|
|
E3L020647
BDB020647
|
BDBM490191
Cc1cc(C)c(CNC(=O)c2cc3cncn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1
|
C23H29N5O3 423.517000 |
ZVPOVZZUPCBWFF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490191; PubChem:CID134340817
|
Local ready
Direct docking supported
|
|
E3L020648
BDB020648
|
BDBM490192
Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1
|
C24H29ClN4O3 456.974000 |
LHSGNFKIUIUVRJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490192; PubChem:CID177667222
|
Local ready
Direct docking supported
|
|
E3L020649
BDB020649
|
BDBM490193
Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C27H36ClN5O2 498.071000 |
QGEYMUMJLNDDPF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490193; PubChem:CID139311094
|
Local ready
Direct docking supported
|
|
E3L020650
BDB020650
|
BDBM490194
Cc1cc(C)c(CNC(=O)c2cc3cncn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C23H29N5O3 423.517000 |
IXFKSWLJEYFFTN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490194; PubChem:CID139311475
|
Local ready
Direct docking supported
|
|
E3L020651
BDB020651
|
BDBM490195
Cc1cc(C)c(CNC(=O)c2cc3nncn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C22H28N6O3 424.505000 |
WMXHOKKSVBWEGD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490195; PubChem:CID177666618
|
Local ready
Direct docking supported
|
|
E3L020652
BDB020652
|
BDBM490196
CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3cn(C)cn3)cn12)C1CCOCC1
|
C29H36N6O3 516.646000 |
QZULMNLZKMIPMI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490196; PubChem:CID134340671
|
Local ready
Direct docking supported
|
|
E3L020653
BDB020653
|
BDBM490197
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cn(-c5cccc(CN(C)C)c5)cn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C36H43N7O3 621.786000 |
VMAPZMOWLOHURI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490197; PubChem:CID177667266
|
Local ready
Direct docking supported
|
|
E3L020654
BDB020654
|
BDBM490198
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cn(-c5ccc(CN(C)C)cc5)cn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C36H43N7O3 621.786000 |
RBCFUFAEUOCCKR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490198; PubChem:CID177651786
|
Local ready
Direct docking supported
|
|
E3L020655
BDB020655
|
BDBM490199
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cc(C#N)c5[nH]ccc5c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C33H34N6O3 562.674000 |
NXUMCTWYLGFQPT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490199; PubChem:CID138733456
|
Local ready
Direct docking supported
|
|
E3L020656
BDB020656
|
BDBM490200
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O2 543.716000 |
MNFVPGNAXYMLMF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490200; PubChem:CID138733340
|
Local ready
Direct docking supported
|
|
E3L020657
BDB020657
|
BDBM490201
Cc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(C#N)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C31H33N5O3 523.637000 |
WYEBZKJDHLQPTL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490201; PubChem:CID138733435
|
Local ready
Direct docking supported
|
|
E3L020658
BDB020658
|
BDBM490202
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O3 502.619000 |
ZFJUDTWUNQIWAH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490202; PubChem:CID138733673
|
Local ready
Direct docking supported
|
|
E3L020659
BDB020659
|
BDBM490204
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccc(CN5CCOCC5)c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C35H43N5O4 597.760000 |
XKIDJOSCVBHRGQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490204; PubChem:CID134340673
|
Local ready
Direct docking supported
|
|
E3L020660
BDB020660
|
BDBM490205
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C28H34N6O3 502.619000 |
YKMNPWVZIVVCBF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490205; PubChem:CID138733681
|
Local ready
Direct docking supported
|