| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021181
BDB021181
|
US11091495, Example 20
CNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
|
C22H22FN7O2 435.463000 |
CELMXBCHNYHKML-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513658; PubChem:CID155788056
|
Local ready
Direct docking supported
|
|
E3L021182
BDB021182
|
US11091495, Example 21
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)N(C)C)nc23)n(C)n1
|
C23H24FN7O2 449.490000 |
HXSVXZFLCYWQIO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513659; PubChem:CID155787982
|
Local ready
Direct docking supported
|
|
E3L021183
BDB021183
|
BDBM513660
Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C#N)nc12
|
C22H15FN6O 398.401000 |
QRQXMDNBSDFOPU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513660; PubChem:CID155676961
|
Local ready
Direct docking supported
|
|
E3L021184
BDB021184
|
US11091495, Example 24
COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H19FN6O2 430.443000 |
KGIVHVXEOZCXFH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513663; PubChem:CID155788151
|
Local ready
Direct docking supported
|
|
E3L021185
BDB021185
|
US11091495, Example 25
Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H20FN7O 441.470000 |
YQGZSHFBWVKMJT-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513664; PubChem:CID155788100
|
Local ready
Direct docking supported
|
|
E3L021186
BDB021186
|
US11091495, Example 26
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnn1C(C)C
|
C23H22FN7O 431.475000 |
PHDFFMXSXCLBRI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513665; PubChem:CID155788097
|
Local ready
Direct docking supported
|
|
E3L021187
BDB021187
|
US11091495, Example 27
Cc1cc(-c2cnc(NCc3cccc4c3OCO4)n3cc(C#N)nc23)n(C)n1
|
C20H17N7O2 387.403000 |
MWBYFOVSPVFUMG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513666; PubChem:CID155788170
|
Local ready
Direct docking supported
|
|
E3L021188
BDB021188
|
US11091495, Example 228
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C21H18FN7O 403.421000 |
WUFADHRATSOXBZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513667; PubChem:CID152324986
|
Local ready
Direct docking supported
|
|
E3L021189
BDB021189
|
US11091495, Example 29
Cc1cc(-c2cnc(NCc3c(Cl)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C21H18ClN7O 419.876000 |
NLRGHQHTQSTZQE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513668; PubChem:CID155787985
|
Local ready
Direct docking supported
|
|
E3L021190
BDB021190
|
US11091495, Example 30
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C21H19N7O 385.431000 |
LXVOSFCMKWIQOD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513669; PubChem:CID155788072
|
Local ready
Direct docking supported
|
|
E3L021191
BDB021191
|
US11091495, Example 31
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
|
C25H20ClFN6O2 490.926000 |
BZZOBNQFAQADBL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513670; PubChem:CID155788180
|
Local ready
Direct docking supported
|
|
E3L021192
BDB021192
|
US11091495, Example 223
[2H]C1Oc2ccc(F)c(C([2H])([2H])Nc3ncc(-c4ccc(CN(C)C)cc4C)c4nc(C#N)cn34)c2C1[2H]
|
C26H25FN6O 460.549407 |
FLCIOLFIDGTRCI-OWAZHTFNSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513671; PubChem:CID155788037
|
Local ready
Direct docking supported
|
|
E3L021193
BDB021193
|
US11091495, Example 33
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1
|
C25H22ClFN6O 476.943000 |
RGZMOVDUMVFHTI-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513672; PubChem:CID155787980
|
Local ready
Direct docking supported
|
|
E3L021194
BDB021194
|
US11091495, Example 34
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(Cl)c1F
|
C25H19ClF2N6O2 508.916000 |
PPHWYWUAXCJQJC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513673; PubChem:CID155788187
|
Local ready
Direct docking supported
|
|
E3L021195
BDB021195
|
US11091495, Example 35
CN(C)C(=O)c1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H19ClF2N6O2 508.916000 |
RQYHUMZYHCVXCP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513674; PubChem:CID155788109
|
Local ready
Direct docking supported
|
|
E3L021196
BDB021196
|
US11091495, Example 36
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H20F2N6O2 474.471000 |
ZDIVVSQBMFUVPR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513675; PubChem:CID155788182
|
Local ready
Direct docking supported
|
|
E3L021197
BDB021197
|
US11091495, Example 37
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)c1F
|
C25H21F3N6O 478.478000 |
FBQCLUFNLZGWFS-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513676; PubChem:CID155788083
|
Local ready
Direct docking supported
|
|
E3L021198
BDB021198
|
US11091495, Example 32
CN(C)C(=O)c1cc(F)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H19F3N6O2 492.461000 |
WTANIBLXUWSPSF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513677; PubChem:CID155788080
|
Local ready
Direct docking supported
|
|
E3L021199
BDB021199
|
US11091495, Example 39
CN(C)Cc1cc(F)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H21F3N6O 478.478000 |
VHOOQQHNKBRMPQ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513678; PubChem:CID155788141
|
Local ready
Direct docking supported
|
|
E3L021200
BDB021200
|
US11091495, Example 40
CN(C)Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C24H21F2N7O 461.476000 |
NYZOHWLREJEJPH-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513679; PubChem:CID155788070
|
Local ready
Direct docking supported
|