| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020581
BDB020581
|
BDBM482158
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
|
C30H40ClN7O3S 614.216000 |
QQWUGDVOUVUTOY-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630, Q9HC35 | Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, ALK tyrosine kinase receptor, Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM482158; PubChem:CID16038120
|
Local ready
Direct docking supported
|
|
E3L020582
BDB020582
|
BDBM490121
COC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C21H25N3O3 367.449000 |
LJNNCIKURLNHFT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490121; PubChem:CID134340712
|
Local ready
Direct docking supported
|
|
E3L020583
BDB020583
|
BDBM490122
CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C22H27N3O3 381.476000 |
CWBXFEZRONAMCA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490122; PubChem:CID138733763
|
Local ready
Direct docking supported
|
|
E3L020584
BDB020584
|
BDBM490123
C=COC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C22H25N3O3 379.460000 |
CWNKEPRGVIUXPH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490123; PubChem:CID177664008
|
Local ready
Direct docking supported
|
|
E3L020585
BDB020585
|
BDBM490124
C#CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C23H25N3O3 391.471000 |
QHECXPBJUYYBRE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490124; PubChem:CID134340436
|
Local ready
Direct docking supported
|
|
E3L020586
BDB020586
|
BDBM490125
C=C(C)COC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12
|
C24H29N3O3 407.514000 |
XAGNXXXUKOWCFN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490125; PubChem:CID138733469
|
Local ready
Direct docking supported
|
|
E3L020587
BDB020587
|
BDBM490127
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCC(C)C)c2C)c(=O)[nH]1
|
C24H31N3O3 409.530000 |
UYUHJTSTQUSWTD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490127; PubChem:CID138733546
|
Local ready
Direct docking supported
|
|
E3L020588
BDB020588
|
BDBM490128
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(CCOC3C=CCCC3)c2C)c(=O)[nH]1
|
C26H31N3O3 433.552000 |
OIBWPWHTXQXDGO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490128; PubChem:CID138733362
|
Local ready
Direct docking supported
|
|
E3L020589
BDB020589
|
BDBM490129
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OC3CCCCC3)c2C)c(=O)[nH]1
|
C26H33N3O3 435.568000 |
WOJKLSWCHWVSJU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490129; PubChem:CID134340825
|
Local ready
Direct docking supported
|
|
E3L020590
BDB020590
|
BDBM490131
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3)c2C)c(=O)[nH]1
|
C27H29N3O3 443.547000 |
BGHYMXNVKGKRCF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490131; PubChem:CID138733761
|
Local ready
Direct docking supported
|
|
E3L020591
BDB020591
|
BDBM490132
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccc(F)cc3)c2C)c(=O)[nH]1
|
C27H28FN3O3 461.537000 |
NBHBPOQBIJGFOD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490132; PubChem:CID134340679
|
Local ready
Direct docking supported
|
|
E3L020592
BDB020592
|
BDBM490133
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3F)c2C)c(=O)[nH]1
|
C27H28FN3O3 461.537000 |
KRWVUKXVULTUKR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490133; PubChem:CID134340620
|
Local ready
Direct docking supported
|
|
E3L020593
BDB020593
|
BDBM490134
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cccc(F)c3)c2C)c(=O)[nH]1
|
C27H28FN3O3 461.537000 |
KVNQEVGNUOGTFF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490134; PubChem:CID138733644
|
Local ready
Direct docking supported
|
|
E3L020594
BDB020594
|
BDBM490135
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cc(F)cc(F)c3)c2C)c(=O)[nH]1
|
C27H27F2N3O3 479.527000 |
FAMXYSSALTXRCC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490135; PubChem:CID177666832
|
Local ready
Direct docking supported
|
|
E3L020595
BDB020595
|
BDBM490136
COc1cccc(COC(C)c2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc3cccn23)c1
|
C28H31N3O4 473.573000 |
YKZCOPIFHVTORP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490136; PubChem:CID134340582
|
Local ready
Direct docking supported
|
|
E3L020596
BDB020596
|
BDBM490137
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccn3)c2C)c(=O)[nH]1
|
C26H28N4O3 444.535000 |
RNCFSUNAOZUICG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490137; PubChem:CID134340717
|
Local ready
Direct docking supported
|
|
E3L020597
BDB020597
|
BDBM490138
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccncc3)c2C)c(=O)[nH]1
|
C26H28N4O3 444.535000 |
PIBCHIVPSNEAHE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490138; PubChem:CID138733361
|
Local ready
Direct docking supported
|
|
E3L020598
BDB020598
|
BDBM490139
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cccs3)c2C)c(=O)[nH]1
|
C25H27N3O3S 449.576000 |
GIJISLXRHAETEW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490139; PubChem:CID134340429
|
Local ready
Direct docking supported
|
|
E3L020599
BDB020599
|
BDBM490140
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3nccs3)c2C)c(=O)[nH]1
|
C24H26N4O3S 450.564000 |
HTHAQSPHVBJZJD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490140; PubChem:CID134340925
|
Local ready
Direct docking supported
|
|
E3L020600
BDB020600
|
BDBM490141
Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccsc3)c2C)c(=O)[nH]1
|
C25H27N3O3S 449.576000 |
LGXGILBPGDDZMG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490141; PubChem:CID134340949
|
Local ready
Direct docking supported
|