| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020821
BDB020821
|
BDBM498118
CN(C)CC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C19H23N7O2 381.440000 |
COZZQLDZHGRLSF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498118; PubChem:CID138516184
|
Local ready
Direct docking supported
|
|
E3L020822
BDB020822
|
BDBM498119
O=C(CN1CCOCC1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C21H25N7O3 423.477000 |
SZPXKWROUQQWPI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498119; PubChem:CID138516090
|
Local ready
Direct docking supported
|
|
E3L020823
BDB020823
|
BDBM498120
O=C(NCc1ccccc1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C27H26FN7O2 499.550000 |
OMDLUTIGPKGMQP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498120; PubChem:CID138516169
|
Local ready
Direct docking supported
|
|
E3L020824
BDB020824
|
BDBM498122
O=C(Nc1ccc(Cl)cc1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C26H23ClFN7O2 519.968000 |
BKTDHARXPONZLI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498122; PubChem:CID138516166
|
Local ready
Direct docking supported
|
|
E3L020825
BDB020825
|
BDBM498123
O=C(NC(=S)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1)c1ccccc1
|
C27H24FN7O2S 529.601000 |
QGYNFWUNFJPSCZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498123; PubChem:CID138516165
|
Local ready
Direct docking supported
|
|
E3L020826
BDB020826
|
BDBM498124
O=C(CN1CCOCC1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C25H28FN7O3 493.543000 |
IDTJCOXUYUMXMK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498124; PubChem:CID138516167
|
Local ready
Direct docking supported
|
|
E3L020827
BDB020827
|
BDBM498125
O=C(c1cnco1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C23H20FN7O3 461.457000 |
MOOFLHPDPGZGPD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498125; PubChem:CID138516168
|
Local ready
Direct docking supported
|
|
E3L020828
BDB020828
|
BDBM498126
Cc1cc(C(=O)N2CC=C(c3cnc(NCc4c(F)ccc5c4CCO5)n4cnnc34)CC2)n(C)n1
|
C25H25FN8O2 488.527000 |
PMNFISMZZAVMSE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM498126
|
Local ready
Direct docking supported
|
|
E3L020829
BDB020829
|
BDBM498127
O=C(C1CCOCC1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C25H27FN6O3 478.528000 |
ODFHOFSFQGNLAQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498127; PubChem:CID138516301
|
Local ready
Direct docking supported
|
|
E3L020830
BDB020830
|
BDBM498128
O=C(OCc1ccccc1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C27H25FN6O3 500.534000 |
AYJXBDHEKFJJEF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498128; PubChem:CID147035373
|
Local ready
Direct docking supported
|
|
E3L020831
BDB020831
|
BDBM498129
C=CC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H21FN6O2 420.448000 |
SMFXHNXJTMDNIG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498129; PubChem:CID138515950
|
Local ready
Direct docking supported
|
|
E3L020832
BDB020832
|
BDBM498130
CC(C)(C)OC(=O)N1CC=C(c2cnc(NCc3cccs3)n3cnnc23)CC1
|
C20H24N6O2S 412.519000 |
ARCFNSQMRBAFLM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498130; PubChem:CID138516266
|
Local ready
Direct docking supported
|
|
E3L020833
BDB020833
|
BDBM498131
Fc1ccc2c(c1CNc1ncc(C3CCOCC3)c3nncn13)CCO2
|
C19H20FN5O2 369.400000 |
JNGULCGOGGIHKC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498131; PubChem:CID138515958
|
Local ready
Direct docking supported
|
|
E3L020834
BDB020834
|
BDBM498132
CCNC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H26FN7O2 439.495000 |
RKNILAHTNIOQKB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498132; PubChem:CID138516231
|
Local ready
Direct docking supported
|
|
E3L020835
BDB020835
|
BDBM498133
CC(C)(C)NC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C24H30FN7O2 467.549000 |
VYUUBEDLACJZLJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498133; PubChem:CID138516126
|
Local ready
Direct docking supported
|
|
E3L020836
BDB020836
|
BDBM498134
CC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C21H23FN6O2 410.453000 |
GYXUFRNFFVEZAF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498134; PubChem:CID138516128
|
Local ready
Direct docking supported
|
|
E3L020837
BDB020837
|
BDBM498135
CC(C)(C)OC(=O)N1CC=C(c2cc(C#N)c(NCc3ccco3)n3cnnc23)CC1
|
C22H24N6O3 420.473000 |
FLKYDMHLGCEZDO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498135; PubChem:CID162369124
|
Local ready
Direct docking supported
|
|
E3L020838
BDB020838
|
BDBM498136
CN(C)CC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C23H26FN7O2 451.506000 |
GDFWTTPBIQSHHT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498136; PubChem:CID138516124
|
Local ready
Direct docking supported
|
|
E3L020839
BDB020839
|
BDBM498137
Fc1ccc2c(c1CNc1ncc(C3=CCCOCC3)c3nncn13)CCO2
|
C20H20FN5O2 381.411000 |
YIFZTYMYYDQEER-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498137; PubChem:CID138516064
|
Local ready
Direct docking supported
|
|
E3L020840
BDB020840
|
BDBM498138
Fc1ccc2c(c1CNc1ncc(C3CCCOCC3)c3nncn13)CCO2
|
C20H22FN5O2 383.427000 |
AAMTZISHVXYYHH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498138; PubChem:CID138516131
|
Local ready
Direct docking supported
|