| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020721
BDB020721
|
BDBM490274
CCC(c1cc2cc(Br)cn2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)N1CCOCC1
|
C25H31BrN4O3 515.452000 |
FHBUOXHBAAOTMN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490274; PubChem:CID138733628
|
Local ready
Direct docking supported
|
|
E3L020722
BDB020722
|
BDBM490275
COCc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)cn2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C29H33N3O6 519.598000 |
BVCAGXBTIRVWCY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490275; PubChem:CID138733579
|
Local ready
Direct docking supported
|
|
E3L020723
BDB020723
|
BDBM490276
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cn[nH]c3)ccn2c(C(C)N2CCOCC2)c1C
|
C27H32N6O4 504.591000 |
QOGRURCTGPYQGF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490276; PubChem:CID138733411
|
Local ready
Direct docking supported
|
|
E3L020724
BDB020724
|
BDBM490277
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C29H34F3N7O3 585.631000 |
JLFCUKAPURTRAC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490277; PubChem:CID134340665
|
Local ready
Direct docking supported
|
|
E3L020725
BDB020725
|
BDBM490278
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C29H34F3N7O3 585.631000 |
JLFCUKAPURTRAC-IBGZPJMESA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490278
|
Local ready
Direct docking supported
|
|
E3L020726
BDB020726
|
BDBM490279
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H36F3N7O3 611.669000 |
ASZHVVIUMMWEHQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490279
|
Local ready
Direct docking supported
|
|
E3L020727
BDB020727
|
BDBM490280
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C31H36F3N7O2 595.670000 |
PFMUZMQCDSEOKX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490280; PubChem:CID134340969
|
Local ready
Direct docking supported
|
|
E3L020728
BDB020728
|
BDBM490281
Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N)nc4)ccn3c([C@H](C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C31H36F3N7O2 595.670000 |
PFMUZMQCDSEOKX-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490281; PubChem:CID138733379
|
Local ready
Direct docking supported
|
|
E3L020729
BDB020729
|
BDBM490282
COc1cc(C)c(CNC(=O)c2cc3c(-c4c(C)noc4C)ccn3c([C@H](C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
|
C31H37F3N6O4 614.669000 |
BQBQOHJSMPLPDF-FQEVSTJZSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490282
|
Local ready
Direct docking supported
|
|
E3L020730
BDB020730
|
BDBM490283
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(F)cc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C32H35F4N5O3 613.656000 |
WWDXKOIIXBJMGH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM490283; PubChem:CID134340823
|
Local ready
Direct docking supported
|
|
E3L020731
BDB020731
|
BDBM490284
CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1
|
C32H38F3N7O3 625.696000 |
OZVIAUIJGKKQQH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490284
|
Local ready
Direct docking supported
|
|
E3L020732
BDB020732
|
BDBM490285
CNc1ccc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1
|
C32H38F3N7O3 625.696000 |
OZVIAUIJGKKQQH-NRFANRHFSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490285
|
Local ready
Direct docking supported
|
|
E3L020733
BDB020733
|
BDBM490286
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C32H37F3N6O3 610.681000 |
ZUTGBSVUTCWRDH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490286
|
Local ready
Direct docking supported
|
|
E3L020734
BDB020734
|
BDBM490287
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cccnc3Cl)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H34ClF3N6O3 631.099000 |
DOAVGIAGWIGMAW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490287
|
Local ready
Direct docking supported
|
|
E3L020735
BDB020735
|
BDBM490288
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(Cl)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C31H34ClF3N6O3 631.099000 |
SMVJKMGRVXOURQ-FQEVSTJZSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490288
|
Local ready
Direct docking supported
|
|
E3L020736
BDB020736
|
BDBM490289
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H40F3N7O3 639.723000 |
NVPYETHVVSIUSI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490289
|
Local ready
Direct docking supported
|
|
E3L020737
BDB020737
|
BDBM490290
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H40F3N7O3 639.723000 |
NVPYETHVVSIUSI-QFIPXVFZSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490290
|
Local ready
Direct docking supported
|
|
E3L020738
BDB020738
|
BDBM490291
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cc(C)nc(C)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H39F3N6O3 624.708000 |
PWDITNYTFWHLRG-QHCPKHFHSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490291
|
Local ready
Direct docking supported
|
|
E3L020739
BDB020739
|
BDBM490293
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3cc(C)nc(C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H39F3N6O3 624.708000 |
PWDITNYTFWHLRG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490293
|
Local ready
Direct docking supported
|
|
E3L020740
BDB020740
|
BDBM490294
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccc(C)nc3C)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
|
C33H39F3N6O3 624.708000 |
JDELYKNPVKOODX-QHCPKHFHSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM490294
|
Local ready
Direct docking supported
|