| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020601
BDB020601
|
BDBM490142
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccn(C)n3)c2C)c(=O)[nH]1
|
C25H29N5O3 447.539000 |
OCTCAAOIMWOBKN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490142; PubChem:CID134340829
|
Local ready
Direct docking supported
|
|
E3L020602
BDB020602
|
BDBM490143
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1
|
C25H29N5O3 447.539000 |
WSXHXLGCDGFPEI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490143; PubChem:CID134340563
|
Local ready
Direct docking supported
|
|
E3L020603
BDB020603
|
BDBM490144
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)Oc3ccc(N(C)C)cc3)c2C)c(=O)[nH]1
|
C28H32N4O3 472.589000 |
MYTLGUOOWAFVDA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490144; PubChem:CID134340672
|
Local ready
Direct docking supported
|
|
E3L020604
BDB020604
|
BDBM490145
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(O)c3ccc(Br)cc3)c2C)c(=O)[nH]1
|
C25H24BrN3O3 494.389000 |
SFQDOMSWEQILMT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490145; PubChem:CID134340686
|
Local ready
Direct docking supported
|
|
E3L020605
BDB020605
|
BDBM490146
COC(c1ccc(Br)cc1)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C26H26BrN3O3 508.416000 |
RIUBXPVNKYSEJE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490146; PubChem:CID134340958
|
Local ready
Direct docking supported
|
|
E3L020606
BDB020606
|
BDBM490147
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)c3ccccc3)c2C)c(=O)[nH]1
|
C26H27N3O2 413.521000 |
KSAPBPZEQJTKRN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490147; PubChem:CID134340443
|
Local ready
Direct docking supported
|
|
E3L020607
BDB020607
|
BDBM490148
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C24H30N4O3 422.529000 |
VPKZJIMGHZBSAN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490148; PubChem:CID134340807
|
Local ready
Direct docking supported
|
|
E3L020608
BDB020608
|
BDBM490150
Cc1cc(C)c(CNC(=O)c2cc3c(Cl)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C24H29ClN4O3 456.974000 |
WCTSMSXXYFADOE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490150; PubChem:CID134340959
|
Local ready
Direct docking supported
|
|
E3L020609
BDB020609
|
BDBM490151
Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C24H29ClN4O3 456.974000 |
SPDIBRDSBLMCAW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490151; PubChem:CID134340791
|
Local ready
Direct docking supported
|
|
E3L020610
BDB020610
|
BDBM490152
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C24H29BrN4O3 501.425000 |
ADLPXUFLQIWHRX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490152; PubChem:CID134340449
|
Local ready
Direct docking supported
|
|
E3L020611
BDB020611
|
BDBM490153
Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)Oc3ccc(N(C)C)cc3)c2C)c(=O)[nH]1
|
C28H31BrN4O3 551.485000 |
DEDHQJIRUNGROL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490153; PubChem:CID177667998
|
Local ready
Direct docking supported
|
|
E3L020612
BDB020612
|
BDBM490154
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C31H34N4O5 542.636000 |
RDCVRRFQYGKDPO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490154; PubChem:CID139311457
|
Local ready
Direct docking supported
|
|
E3L020613
BDB020613
|
BDBM490155
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCOCC5)cc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C34H41N5O4 583.733000 |
YZDJNCZDBYHXNX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490155; PubChem:CID139311073
|
Local ready
Direct docking supported
|
|
E3L020614
BDB020614
|
BDBM490156
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccccc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C30H34N4O3 498.627000 |
RQYBQMBUEIRGMW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490156; PubChem:CID138733649
|
Local ready
Direct docking supported
|
|
E3L020615
BDB020615
|
BDBM490157
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccncc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C29H33N5O3 499.615000 |
IUKHZRQYHDEECP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490157; PubChem:CID139311062
|
Local ready
Direct docking supported
|
|
E3L020616
BDB020616
|
BDBM490159
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccc(N5CCOCC5)c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C34H41N5O4 583.733000 |
FJPQYUGDZBMIHO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490159; PubChem:CID139311469
|
Local ready
Direct docking supported
|
|
E3L020617
BDB020617
|
BDBM490160
COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc(OC)c1OC
|
C33H40N4O6 588.705000 |
XORNMRNXDPCIKP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490160; PubChem:CID138733663
|
Local ready
Direct docking supported
|
|
E3L020618
BDB020618
|
BDBM490161
COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c(OC)c1
|
C32H38N4O5 558.679000 |
FWCALSJUIJECIT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490161; PubChem:CID138733388
|
Local ready
Direct docking supported
|
|
E3L020619
BDB020619
|
BDBM490162
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(CN5CCOCC5)cc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C35H43N5O4 597.760000 |
GWPYQMVBZMVXKH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490162; PubChem:CID139311467
|
Local ready
Direct docking supported
|
|
E3L020620
BDB020620
|
BDBM490163
Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cc(C#N)c5c(c4)N(OC(=O)OC(C)(C)C)CC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
|
C38H44N6O6 680.806000 |
DMXSZKYEKLTPRY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490163
|
Local ready
Direct docking supported
|