| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020741
BDB020741
|
BDBM490295
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cccnc3N(C)C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H40F3N7O3 639.723000 |
BGYQAQDEVQQINW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490295
|
Local ready
Direct docking supported
|
|
E3L020742
BDB020742
|
BDBM490296
CNc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
|
C32H38F3N7O3 625.696000 |
ALFSZEYTECOWEA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490296
|
Local ready
Direct docking supported
|
|
E3L020743
BDB020743
|
BDBM490297
CNc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
|
C32H38F3N7O3 625.696000 |
ALFSZEYTECOWEA-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490297
|
Local ready
Direct docking supported
|
|
E3L020744
BDB020744
|
BDBM490298
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C29H35F3N8O3 600.646000 |
DMICRPUDJFDMPT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490298
|
Local ready
Direct docking supported
|
|
E3L020745
BDB020745
|
BDBM490299
Cc1cc(=O)c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(C)[nH]1
|
C31H36F3N7O2 595.670000 |
LUIXQKIAEWUADF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490299; PubChem:CID134340943
|
Local ready
Direct docking supported
|
|
E3L020746
BDB020746
|
BDBM490300
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H40F3N7O2 623.724000 |
XNOXBNAINMJCOT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490300; PubChem:CID134340541
|
Local ready
Direct docking supported
|
|
E3L020747
BDB020747
|
BDBM490301
Cc1cc(C(F)(F)F)c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C31H33F6N7O2 649.640000 |
SDWBOOAHCJLGPD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490301
|
Local ready
Direct docking supported
|
|
E3L020748
BDB020748
|
BDBM490302
COc1c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]n1C
|
C29H35F3N8O3 600.646000 |
HCOVZVRDBKYJAN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490302
|
Local ready
Direct docking supported
|
|
E3L020749
BDB020749
|
BDBM490303
Cc1[nH]c(=O)c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c2c1CN(CC(C)C)CC2
|
C37H47F3N8O2 692.831000 |
JNXSFCQMMKVZFH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490303
|
Local ready
Direct docking supported
|
|
E3L020750
BDB020750
|
BDBM490304
Cc1c(C(=O)NCC2C(=O)NC(C)c3ccccc32)cc2c(-c3ccc(N4CCC(N)CC4)nc3)ccn2c1[C@H](C)N1CCN(CC(F)(F)F)CC1
|
C39H47F3N8O2 716.853000 |
JNOGXUCAYYPNIM-RKTOYJNFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490304
|
Local ready
Direct docking supported
|
|
E3L020751
BDB020751
|
BDBM490305
Cc1cc(C)c(CNC(=O)c2cc3c(-c4cnn(C5CCOCC5)c4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C34H42F3N7O3 653.750000 |
HTTUWTUKYHNTFC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490305
|
Local ready
Direct docking supported
|
|
E3L020752
BDB020752
|
BDBM490306
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)OCc2nccs2)c1C
|
C27H28N6O4S 532.626000 |
DPBJTLODUKODGK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490306; PubChem:CID138733408
|
Local ready
Direct docking supported
|
|
E3L020753
BDB020753
|
BDBM490309
COc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
|
C32H37F3N6O4 626.680000 |
BNJXDEVYOHGSOD-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490309
|
Local ready
Direct docking supported
|
|
E3L020754
BDB020754
|
BDBM490310
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cnc(C)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
JKEFHMIKUJDKOO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490310
|
Local ready
Direct docking supported
|
|
E3L020755
BDB020755
|
BDBM490311
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cnc(C)nc3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
JKEFHMIKUJDKOO-FQEVSTJZSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490311
|
Local ready
Direct docking supported
|
|
E3L020756
BDB020756
|
BDBM490312
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cnc(C)cn3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
LQMNTDGKQRDESX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490312
|
Local ready
Direct docking supported
|
|
E3L020757
BDB020757
|
Epsametostat
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(C)nn3)ccn2c([C@@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
BIABSPVTTUDBEO-OAQYLSRUSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490313; PubChem:CID134340937
|
Local ready
Direct docking supported
|
|
E3L020758
BDB020758
|
BDBM490314
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(N(C)C2CCN(CC(F)(F)F)CC2)c1C
|
C29H34F3N7O3 585.631000 |
ATRIQDOGGDRZLY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490314
|
Local ready
Direct docking supported
|
|
E3L020759
BDB020759
|
BDBM490315
CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)C1CCN(CC(F)(F)F)CC1
|
C34H42F3N7O3 653.750000 |
FNIKMLHBXVTEHZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490315
|
Local ready
Direct docking supported
|
|
E3L020760
BDB020760
|
BDBM490316
CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ncn12)C1CCN(CC(F)(F)F)CC1
|
C33H41F3N8O3 654.738000 |
GCUYZRJYMGHXJY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490316
|
Local ready
Direct docking supported
|