| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021281
BDB021281
|
US11091495, Example 123
COc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)cn1
|
C22H16F2N6O2 434.406000 |
KBHWQKQMPMAPEO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513762; PubChem:CID155788173
|
Local ready
Direct docking supported
|
|
E3L021282
BDB021282
|
US11091495, Example 124
CCOc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C23H19FN6O2 430.443000 |
DLBFMDGNSNIQBA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513763; PubChem:CID155787976
|
Local ready
Direct docking supported
|
|
E3L021283
BDB021283
|
US11091495, Example 125
COc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(OC)cn1
|
C23H19FN6O3 446.442000 |
XCVAPCIFZZYYCH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513764; PubChem:CID156050914
|
Local ready
Direct docking supported
|
|
E3L021284
BDB021284
|
US11091495, Example 126
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(F)(F)F)nc3)c2n1
|
C22H14F4N6O 454.387000 |
ATZNRHWOJZFKOP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513765; PubChem:CID155788183
|
Local ready
Direct docking supported
|
|
E3L021285
BDB021285
|
US11091495, Example 127
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N)nc3)c2n1
|
C21H16FN7O 401.405000 |
JFZRZAWOKSELHZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513766; PubChem:CID155787986
|
Local ready
Direct docking supported
|
|
E3L021286
BDB021286
|
US11091495, Example 128
N#Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H14FN7O 411.400000 |
ZTXVMQSYTYCODC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513767; PubChem:CID155788142
|
Local ready
Direct docking supported
|
|
E3L021287
BDB021287
|
US11091495, Example 129
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1N
|
C22H18FN7O 415.432000 |
QQAWSQZIJXYDOY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513768; PubChem:CID155788118
|
Local ready
Direct docking supported
|
|
E3L021288
BDB021288
|
US11091495, Example 130
COc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1C#N
|
C23H16FN7O2 441.426000 |
MBNDUVZCCABKGK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513769; PubChem:CID156051042
|
Local ready
Direct docking supported
|
|
E3L021289
BDB021289
|
US11091495, Example 131
CC(=O)Nc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccn1
|
C23H18FN7O2 443.442000 |
BSLHODUXHOPITF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513770; PubChem:CID156051101
|
Local ready
Direct docking supported
|
|
E3L021290
BDB021290
|
US11091495, Example 132
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncc(C(F)(F)F)c3)c2n1
|
C22H14F4N6O 454.387000 |
RDFNWSIEQYEMGF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513771; PubChem:CID156050987
|
Local ready
Direct docking supported
|
|
E3L021291
BDB021291
|
US11091495, Example 133
CC(C)Oc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C24H21FN6O2 444.470000 |
FGQHIQLXPWEHGC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513772; PubChem:CID155788124
|
Local ready
Direct docking supported
|
|
E3L021292
BDB021292
|
US11091495, Example 134
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(N)c(C(F)(F)F)c3)c2n1
|
C22H15F4N7O 469.402000 |
QNMGGALOHIVPOS-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513773; PubChem:CID156050985
|
Local ready
Direct docking supported
|
|
E3L021293
BDB021293
|
US11091495, Example 135
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1
|
C26H24FN7O 469.524000 |
VNOSDQWLFVYWRT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513774; PubChem:CID155788009
|
Local ready
Direct docking supported
|
|
E3L021294
BDB021294
|
US11091495, Example 136
Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C27H27FN8O 498.566000 |
JXCUQVXZOACSJW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513775; PubChem:CID155676932
|
Local ready
Direct docking supported
|
|
E3L021295
BDB021295
|
US11091495, Example 137
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
|
C22H19FN6O2 418.432000 |
BCXVBFNEZHMBTI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513776; PubChem:CID155676996
|
Local ready
Direct docking supported
|
|
E3L021296
BDB021296
|
US11091495, Example 138
Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
|
C27H29FN8O2 516.581000 |
HMXDXCDZOLIXOJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513777; PubChem:CID155676923
|
Local ready
Direct docking supported
|
|
E3L021297
BDB021297
|
US11091495, Example 139
Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C20H16FN7O 389.394000 |
QRYIPSSFSKCWDG-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513778; PubChem:CID139371908
|
Local ready
Direct docking supported
|
|
E3L021298
BDB021298
|
US11091495, Example 140
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(N3CCNCC3)c2n1
|
C20H20FN7O 393.426000 |
HPRRNWSWKSVYEO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513779; PubChem:CID156230110
|
Local ready
Direct docking supported
|
|
E3L021299
BDB021299
|
US11091495, Example 141
CCOC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1
|
C18H16BrFN4O3 435.253000 |
POJLFXSHDKTYNB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513780; PubChem:CID139381834
|
Local ready
Direct docking supported
|
|
E3L021300
BDB021300
|
BDBM513781
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1
|
C16H11BrFN5O 388.200000 |
WEROVYOUOIXAEC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513781; PubChem:CID139381709
|
Local ready
Direct docking supported
|