| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021221
BDB021221
|
US11091495, Example 61
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)c1
|
C25H22F2N6O 460.488000 |
MLQLNAXQUYOTLN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513700; PubChem:CID155788105
|
Local ready
Direct docking supported
|
|
E3L021222
BDB021222
|
US11091495, Example 62
Cc1ncc(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C22H16F2N6O 418.407000 |
HFWXAOLDLCURON-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513701; PubChem:CID155788139
|
Local ready
Direct docking supported
|
|
E3L021223
BDB021223
|
US11091495, Example 63
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H22F2N6O 460.488000 |
SGJOGTJTJMZXLP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513702; PubChem:CID155788038
|
Local ready
Direct docking supported
|
|
E3L021224
BDB021224
|
US11091495, Example 64
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c2n1
|
C22H15F3N6O 436.397000 |
MYKJLXMXCKCHON-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513703; PubChem:CID155788013
|
Local ready
Direct docking supported
|
|
E3L021225
BDB021225
|
US11091495, Example 65
Cc1nn(C[C@H](C)O)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H24FN7O2 461.501000 |
IVAOQLVFWWHVBQ-ZDUSSCGKSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513704; PubChem:CID155788066
|
Local ready
Direct docking supported
|
|
E3L021226
BDB021226
|
US11091495, Example 66
Cc1nn(C[C@@H](C)O)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H24FN7O2 461.501000 |
IVAOQLVFWWHVBQ-CYBMUJFWSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513705; PubChem:CID155788110
|
Local ready
Direct docking supported
|
|
E3L021227
BDB021227
|
US11091495, Example 67
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)n1
|
C23H19FN6O 414.444000 |
HIGOXWKPMUKWLM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513706; PubChem:CID155788012
|
Local ready
Direct docking supported
|
|
E3L021228
BDB021228
|
US11091495, Example 68
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccn3)c2n1
|
C20H14FN7O 387.378000 |
UNEPUTDIPANHMW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513707; PubChem:CID155788004
|
Local ready
Direct docking supported
|
|
E3L021229
BDB021229
|
US11091495, Example 69
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C21H16FN7O 401.405000 |
YUVQFUKCWVZXOX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513708; PubChem:CID155788059
|
Local ready
Direct docking supported
|
|
E3L021230
BDB021230
|
US11091495, Example 70
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C4CC4)cn3)c2n1
|
C23H18FN7O 427.443000 |
POISDRPSNSJPRA-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513709; PubChem:CID155788160
|
Local ready
Direct docking supported
|
|
E3L021231
BDB021231
|
US11091495, Example 71
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)n1
|
C22H18FN7O 415.432000 |
NDGRAKQYTFCDKJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513710; PubChem:CID155788131
|
Local ready
Direct docking supported
|
|
E3L021232
BDB021232
|
US11091495, Example 72
Cc1nn(C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H18FN7O 403.421000 |
BURNSCKMTRTJLO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513711; PubChem:CID155788149
|
Local ready
Direct docking supported
|
|
E3L021233
BDB021233
|
US11091495, Example 73
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C23H18FN5O3S 463.494000 |
OTMZQUYQWBEIIO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513712; PubChem:CID155788095
|
Local ready
Direct docking supported
|
|
E3L021234
BDB021234
|
US11091495, Example 74
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4)cc3)c2n1
|
C27H25FN6O 468.536000 |
ZXRAFGUYSHCCDE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513713; PubChem:CID155788114
|
Local ready
Direct docking supported
|
|
E3L021235
BDB021235
|
US11091495, Example 75
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1
|
C27H25FN6O2 484.535000 |
YEMHYUOUSNCKFN-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513714; PubChem:CID155787999
|
Local ready
Direct docking supported
|
|
E3L021236
BDB021236
|
US11091495, Example 76
Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C25H22FN7O2 471.496000 |
LXXIUEJPNHZLJV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513715; PubChem:CID155788063
|
Local ready
Direct docking supported
|
|
E3L021237
BDB021237
|
US11091495, Example 77
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1
|
C19H16FN5O 349.369000 |
VPOTVMSZBLPUBY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513716; PubChem:CID155788082
|
Local ready
Direct docking supported
|
|
E3L021238
BDB021238
|
US11091495, Example 79
Cc1n[nH]cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C20H16FN7O 389.394000 |
IAMONIMHFPXIFH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513718; PubChem:CID155788102
|
Local ready
Direct docking supported
|
|
E3L021239
BDB021239
|
US11091495, Example 80
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn4c3CCC4)c2n1
|
C22H18FN7O 415.432000 |
FRHGPEJXHCNFPB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513719; PubChem:CID155788054
|
Local ready
Direct docking supported
|
|
E3L021240
BDB021240
|
US11091495, Example 81
Cc1cc(-c2cnc(NCc3c(F)ccc4sccc34)n3cc(C#N)nc23)n(C)n1
|
C21H16FN7S 417.473000 |
ZAZTYEGXVLGOOL-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513720; PubChem:CID155788108
|
Local ready
Direct docking supported
|