| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020761
BDB020761
|
BDBM490317
CCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
|
C33H39F3N6O3 624.708000 |
LARVNFLSIXCNBA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490317
|
Local ready
Direct docking supported
|
|
E3L020762
BDB020762
|
BDBM490318
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C34H41F3N6O3 638.735000 |
XSAIAGTWFDTBMG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490318
|
Local ready
Direct docking supported
|
|
E3L020763
BDB020763
|
BDBM490319
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc4c3CCN4)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H38F3N7O3 637.707000 |
GUTYCSPKDSWGEZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490319
|
Local ready
Direct docking supported
|
|
E3L020764
BDB020764
|
BDBM490320
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc4c3CCN4)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H38F3N7O3 637.707000 |
GUTYCSPKDSWGEZ-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490320
|
Local ready
Direct docking supported
|
|
E3L020765
BDB020765
|
BDBM490321
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc4c3CCN4)ccn2c([C@@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H38F3N7O3 637.707000 |
GUTYCSPKDSWGEZ-OAQYLSRUSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490321
|
Local ready
Direct docking supported
|
|
E3L020766
BDB020766
|
BDBM490322
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(C)nn3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
BIABSPVTTUDBEO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490322
|
Local ready
Direct docking supported
|
|
E3L020767
BDB020767
|
BDBM490323
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-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490323
|
Local ready
Direct docking supported
|
|
E3L020768
BDB020768
|
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:BDBM490324; PubChem:CID134340937
|
Local ready
Direct docking supported
|
|
E3L020769
BDB020769
|
BDBM490331
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)N2CCOCC2)c1C
|
C27H32N6O4 504.591000 |
MWCOYDBWBFJQIT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490331; PubChem:CID134340877
|
Local ready
Direct docking supported
|
|
E3L020770
BDB020770
|
BDBM490332
COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)OC)n3c2)cc(OC)c1OC
|
C30H35N3O6 533.625000 |
VNOLGWJRQJWJEG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490332; PubChem:CID134340667
|
Local ready
Direct docking supported
|
|
E3L020771
BDB020771
|
US10981898, Example 17
CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OCc1cn[nH]c1)c1ccc(Cl)cc1
|
C28H25Cl2N3O3 522.432000 |
COYLYTVXALVFKT-MUUNZHRXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492921; PubChem:CID135281433
|
Local ready
Direct docking supported
|
|
E3L020772
BDB020772
|
US10981898, Example 19
CCC1(COC2(c3ccc(Cl)cc3)c3ccc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cc2)CC1
|
C30H31Cl2NO3 524.488000 |
ONXUOCISKNKLEO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492926; PubChem:CID156907814
|
Local ready
Direct docking supported
|
|
E3L020773
BDB020773
|
US10981898, Example 20
CC(C)[Si](C#Cc1ccc(CN2C(=O)c3cc(C(C)(C)O)ccc3C2(OCC2(CO)CC2)c2ccc(Cl)cc2)cc1)(C(C)C)C(C)C
|
C40H50ClNO4Si 672.382000 |
MSTKICFKUWVYLG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492927; PubChem:CID145765537
|
Local ready
Direct docking supported
|
|
E3L020774
BDB020774
|
US10981898, Example 21
C#Cc1ccc(CN2C(=O)c3cc(C(C)(C)O)cc(F)c3C2(OCC2(CO)CC2)c2ccc(Cl)cc2)cc1
|
C31H29ClFNO4 534.027000 |
NBPAQCMFLGCFBK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492928; PubChem:CID156907815
|
Local ready
Direct docking supported
|
|
E3L020775
BDB020775
|
US10981898, Example 22
C#Cc1ccc(CN2C(=O)c3cc([C@](C)(O)CO)cc(F)c3[C@]2(OCC2(CO)CC2)c2ccc(Cl)cc2)cc1
|
C31H29ClFNO5 550.026000 |
LDOCNQIRVXHZQU-BVRKHOPBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492929; PubChem:CID156907816
|
Local ready
Direct docking supported
|
|
E3L020776
BDB020776
|
US10981898, Example 24
CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cc1)C2(OCC1(CO)CC1)c1ccc(Cl)cc1
|
C30H28ClFN2O4 535.015000 |
DIVMTXBUDOMYFO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492930; PubChem:CID156907817
|
Local ready
Direct docking supported
|
|
E3L020777
BDB020777
|
US10981898, Example 27
C=C(C)c1ccc2c(c1)C(=O)N(Cc1ccc(C#N)cc1)C2(OCC1(CO)CC1)c1ccc(Cl)cc1
|
C30H27ClN2O3 499.010000 |
WHLZDVKKTGHCMQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492933; PubChem:CID135281479
|
Local ready
Direct docking supported
|
|
E3L020778
BDB020778
|
US10981898, Example 28
CC(O)(CO)c1ccc2c(c1)C(=O)N(Cc1ccc(C#N)cc1)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1
|
C30H29ClN2O5 533.024000 |
WAODAYOZKYTGDR-FUJFQHJFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492934; PubChem:CID135281411
|
Local ready
Direct docking supported
|
|
E3L020779
BDB020779
|
US10981898, Example 29
CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2(OCC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1)c1ccc(Cl)cc1
|
C44H45Cl2NO4Si 750.839000 |
NRSLMJAUYKGDGV-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492935; PubChem:CID145765568
|
Local ready
Direct docking supported
|
|
E3L020780
BDB020780
|
US10981898, Example 30
CN(C)C(=O)COC1(c2ccc(Cl)cc2)c2ccc(Br)cc2C(=O)N1Cc1ccc(Cl)cc1
|
C25H21BrCl2N2O3 548.264000 |
DXEVITVMQBDYAY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492936; PubChem:CID135281633
|
Local ready
Direct docking supported
|