| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020681
BDB020681
|
BDBM490230
CCS(=O)(=O)N1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc3cc(Br)cn23)CC1
|
C26H34BrN5O4S 592.560000 |
BXTPJRJYTRISGW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490230; PubChem:CID138733605
|
Local ready
Direct docking supported
|
|
E3L020682
BDB020682
|
BDBM490231
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(CCC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C27H33BrF3N5O2 596.492000 |
HKZAFPHDQNGLOJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490231; PubChem:CID138733608
|
Local ready
Direct docking supported
|
|
E3L020683
BDB020683
|
BDBM490232
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccnn4C)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O2 543.716000 |
WVMIVSXFVWTATQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490232; PubChem:CID134340647
|
Local ready
Direct docking supported
|
|
E3L020684
BDB020684
|
BDBM490233
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O2 543.716000 |
CFMVTHABXZQSHG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490233; PubChem:CID138733525
|
Local ready
Direct docking supported
|
|
E3L020685
BDB020685
|
BDBM490234
COc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1
|
C31H41N7O3 559.715000 |
HGTOXTGWRWSTLT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490234; PubChem:CID177667891
|
Local ready
Direct docking supported
|
|
E3L020686
BDB020686
|
BDBM490235
COc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C30H36F3N7O3 599.658000 |
CHYLQQKTUDWTBB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490235
|
Local ready
Direct docking supported
|
|
E3L020687
BDB020687
|
BDBM490236
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C30H36F3N7O2 583.659000 |
ZLXPAPUMNSRTRE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490236; PubChem:CID141698332
|
Local ready
Direct docking supported
|
|
E3L020688
BDB020688
|
BDBM490237
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ncc[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C27H32N6O3 488.592000 |
WPVQANPTLVYQMW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490237; PubChem:CID139311478
|
Local ready
Direct docking supported
|
|
E3L020689
BDB020689
|
BDBM490238
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C27H32N6O3 488.592000 |
MUQYWZBHAVIXFM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490238; PubChem:CID138733503
|
Local ready
Direct docking supported
|
|
E3L020690
BDB020690
|
BDBM490239
CCn1nccc1-c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1
|
C29H36N6O3 516.646000 |
AYEZCNAYFXZRSZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490239; PubChem:CID156227599
|
Local ready
Direct docking supported
|
|
E3L020691
BDB020691
|
BDBM490240
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cc5c(s4)CNCC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C31H37N5O3S 559.736000 |
BURZXMHLMFYKPF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490240; PubChem:CID139311060
|
Local ready
Direct docking supported
|
|
E3L020692
BDB020692
|
BDBM490241
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cc5c(s4)CCNC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C31H37N5O3S 559.736000 |
WMFKMGUBZFESKC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490241; PubChem:CID138733465
|
Local ready
Direct docking supported
|
|
E3L020693
BDB020693
|
BDBM490242
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N(C)C)cc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C32H39N5O3 541.696000 |
JPMASALWYBUQEY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490242; PubChem:CID134340870
|
Local ready
Direct docking supported
|
|
E3L020694
BDB020694
|
BDBM490243
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N5CCOCC5)cc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C34H41N5O4 583.733000 |
MFRSMIHZNIDZSM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490243; PubChem:CID138733612
|
Local ready
Direct docking supported
|
|
E3L020695
BDB020695
|
BDBM490246
COc1cccc(-c2ccn3c(C(C)N4CCOCC4)c(C)c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc23)c1
|
C31H36N4O4 528.653000 |
WKZBKNKVTFITJD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490246; PubChem:CID138733524
|
Local ready
Direct docking supported
|
|
E3L020696
BDB020696
|
BDBM490247
COc1ccc(-c2ccn3c(C(C)N4CCOCC4)c(C)c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc23)cc1
|
C31H36N4O4 528.653000 |
UWKVRRORDUMNJZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490247; PubChem:CID138733564
|
Local ready
Direct docking supported
|
|
E3L020697
BDB020697
|
BDBM490248
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCCC3)c2C)c(=O)[nH]1
|
C24H29BrN4O2 485.426000 |
ZGSLSUBWCOCVGF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490248; PubChem:CID139395054
|
Local ready
Direct docking supported
|
|
E3L020698
BDB020698
|
BDBM490249
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(F)(F)CC3)c2C)c(=O)[nH]1
|
C25H29BrF2N4O2 535.433000 |
JSFUAIWHIQVBQA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490249; PubChem:CID134340456
|
Local ready
Direct docking supported
|
|
E3L020699
BDB020699
|
BDBM490250
COc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1
|
C31H35FN4O4 546.643000 |
UQZXJUQCUAPPKB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490250; PubChem:CID134340799
|
Local ready
Direct docking supported
|
|
E3L020700
BDB020700
|
BDBM490251
COC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1
|
C26H32N4O5 480.565000 |
AGJVOZMPBVCPLQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490251; PubChem:CID138733486
|
Local ready
Direct docking supported
|