| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021161
BDB021161
|
BDBM511682
COC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C16H14N2O7 346.295000 |
MGBMABBHWDSLMD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM511682; PubChem:CID25015434
|
Local ready
Direct docking supported
|
|
E3L021162
BDB021162
|
US11091495, Example 1
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)n(C)n1
|
C21H19FN6O3 422.420000 |
BBUIUQSZWUHXOF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513638; PubChem:CID155676956
|
Local ready
Direct docking supported
|
|
E3L021163
BDB021163
|
US11091495, Example 2
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
|
C22H18FN5O3 419.416000 |
GUAVZVKIUUHFGS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513639; PubChem:CID139381716
|
Local ready
Direct docking supported
|
|
E3L021164
BDB021164
|
US11091495, Example 3
Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(=O)O)nc12
|
C22H16FN5O3 417.400000 |
SSPXUFXDBGMUJX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513640; PubChem:CID139381724
|
Local ready
Direct docking supported
|
|
E3L021165
BDB021165
|
US11091495, Example 4
Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cn1
|
C20H17FN6O3 408.393000 |
IWOYVLMCYDRTSZ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513641; PubChem:CID139371731
|
Local ready
Direct docking supported
|
|
E3L021166
BDB021166
|
US11091495, Example 5
Cc1nn(C(C)C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
|
C23H23FN6O3 450.474000 |
FFGXAZIAUUNVRQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513642; PubChem:CID155787997
|
Local ready
Direct docking supported
|
|
E3L021167
BDB021167
|
US11091495, Example 6
COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cn1
|
C23H20FN5O4 449.442000 |
FHBLZWLFAFLEQB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513643; PubChem:CID155788051
|
Local ready
Direct docking supported
|
|
E3L021168
BDB021168
|
US11091495, Example 7
Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
|
C24H21FN6O3 460.469000 |
YWZARKUVOPOHRP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513645; PubChem:CID155788158
|
Local ready
Direct docking supported
|
|
E3L021169
BDB021169
|
US11091495, Example 8
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cnn1C(C)C
|
C23H23FN6O3 450.474000 |
PHXVDWPQFZOJHY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513646; PubChem:CID155788169
|
Local ready
Direct docking supported
|
|
E3L021170
BDB021170
|
US11091495, Example 9
Cc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(C(=O)O)nc23)n(C)n1
|
C21H17FN6O3 420.404000 |
KFNFZDYVLRPZEK-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513647; PubChem:CID155788174
|
Local ready
Direct docking supported
|
|
E3L021171
BDB021171
|
US11091495, Example 10
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(C(=O)O)nc23)n(C)n1
|
C21H20N6O3 404.430000 |
FPURDCYUVYLRQH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513648; PubChem:CID155788023
|
Local ready
Direct docking supported
|
|
E3L021172
BDB021172
|
US11091495, Example 11
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)n(C)n1
|
C21H20FN7O2 421.436000 |
SQUISAAFYLZEJH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513649; PubChem:CID151891326
|
Local ready
Direct docking supported
|
|
E3L021173
BDB021173
|
US11091495, Example 12
Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12
|
C22H17FN6O2 416.416000 |
SMHLMPSZVTVQDP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513650; PubChem:CID139381725
|
Local ready
Direct docking supported
|
|
E3L021174
BDB021174
|
US11091495, Example 13
Cc1nn(C(C)C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
|
C23H24FN7O2 449.490000 |
GFMLNRBXDJUWAC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513651; PubChem:CID155676991
|
Local ready
Direct docking supported
|
|
E3L021175
BDB021175
|
US11091495, Example 14
COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cn1
|
C23H21FN6O3 448.458000 |
ZDQJJBMRCPYHGA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513652; PubChem:CID156051089
|
Local ready
Direct docking supported
|
|
E3L021176
BDB021176
|
US11091495, Example 15
Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
|
C24H22FN7O2 459.485000 |
DNWQZLJLDRUAIN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513653; PubChem:CID155788178
|
Local ready
Direct docking supported
|
|
E3L021177
BDB021177
|
US11091495, Example 16
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cnn1C(C)C
|
C23H24FN7O2 449.490000 |
QUZHMSFJDYPQHN-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513654; PubChem:CID155787998
|
Local ready
Direct docking supported
|
|
E3L021178
BDB021178
|
US11091495, Example 17
Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cn1
|
C20H18FN7O2 407.409000 |
WEZXQKRCSWEEJV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513655; PubChem:CID155788001
|
Local ready
Direct docking supported
|
|
E3L021179
BDB021179
|
US11091495, Example 18
Cc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(C(N)=O)nc23)n(C)n1
|
C21H18FN7O2 419.420000 |
XBBVLKKQAGCZLH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513656; PubChem:CID156050979
|
Local ready
Direct docking supported
|
|
E3L021180
BDB021180
|
US11091495, Example 19
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(C(N)=O)nc23)n(C)n1
|
C21H21N7O2 403.446000 |
UVKFNNHKXWKUBX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513657; PubChem:CID155787970
|
Local ready
Direct docking supported
|