| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036241
BDB036241
|
US12252493, Example 10
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN)nc23)n(C)n1
|
C21H22FN7O 407.453000 |
ZHACWBUGLHZPCX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727058; PubChem:CID155369155
|
Local ready
Direct docking supported
|
|
E3L036242
BDB036242
|
BDBM727059
Cc1cc(C2=CN=C(NCc3c(F)ccc4c3CCO4)N3CC([C@@H](C)N)N=C23)n(C)n1
|
C22H26FN7O 423.496000 |
XKMMCRANAIDZBC-YJJYDOSJSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM727059
|
Local ready
Direct docking supported
|
|
E3L036243
BDB036243
|
BDBM727060
Cc1cc(C2=CN=C(NCc3c(F)ccc4c3CCO4)N3CC([C@H](C)N)N=C23)n(C)n1
|
C22H26FN7O 423.496000 |
XKMMCRANAIDZBC-FVRDMJKUSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM727060
|
Local ready
Direct docking supported
|
|
E3L036244
BDB036244
|
US12252493, Example 13
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
|
C24H24FN5O3S 481.553000 |
UWEUYVUVIHWCSI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727061; PubChem:CID155369215
|
Local ready
Direct docking supported
|
|
E3L036245
BDB036245
|
US12252493, Example 14
NCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(F)c3)c2n1
|
C22H19F2N5O 407.424000 |
JDEZAMBLTIFERB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727064; PubChem:CID155382872
|
Local ready
Direct docking supported
|
|
E3L036246
BDB036246
|
US12252493, Example 15
Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
|
C21H19F4N7O 461.423000 |
MRXOKXZLWNWUED-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727065; PubChem:CID155382873
|
Local ready
Direct docking supported
|
|
E3L036247
BDB036247
|
US12252493, Example 16
NCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)cc(F)c3)c2n1
|
C22H18F3N5O 425.414000 |
VYBDHSBCJNKRGC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727066; PubChem:CID155382886
|
Local ready
Direct docking supported
|
|
E3L036248
BDB036248
|
US12252493, Example 17
Cc1c(F)cccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
|
C23H21F2N5O 421.451000 |
ZTRDQEIZUBNSMB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727067; PubChem:CID155382879
|
Local ready
Direct docking supported
|
|
E3L036249
BDB036249
|
US12252493, Example 18
Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
|
C20H20FN7O 393.426000 |
JZIPTJQXDMWPOD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727068; PubChem:CID155382875
|
Local ready
Direct docking supported
|
|
E3L036250
BDB036250
|
US12252493, Example 19
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
|
C22H21FN6O 404.449000 |
DQKXWXPEWZFZPC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727069; PubChem:CID155382877
|
Local ready
Direct docking supported
|
|
E3L036251
BDB036251
|
US12252493, Example 20
COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN)nc23)c(C)n1
|
C23H23FN6O2 434.475000 |
IWYSQYJJSYYHSS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727070; PubChem:CID155382885
|
Local ready
Direct docking supported
|
|
E3L036252
BDB036252
|
US12252493, Example 21
Cc1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN)nc23)c1
|
C23H22FN5O 403.461000 |
AVCMGSLLGCXMSW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727071; PubChem:CID155382887
|
Local ready
Direct docking supported
|
|
E3L036253
BDB036253
|
US12252493, Example 22
NCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3Cl)c2n1
|
C22H19ClFN5O 423.879000 |
JFJYITFQOANYEA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727072; PubChem:CID155382874
|
Local ready
Direct docking supported
|
|
E3L036254
BDB036254
|
US12252493, Example 23
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cc(CN)nc23)n(C)n1
|
C21H23N7O 389.463000 |
CUCFBBKJAAJAAV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727073; PubChem:CID155382876
|
Local ready
Direct docking supported
|
|
E3L036255
BDB036255
|
US12252493, Example 24
Cc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(CN)nc23)n(C)n1
|
C21H20FN7O 405.437000 |
JCXTXXNEODSHER-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727074; PubChem:CID155382878
|
Local ready
Direct docking supported
|
|
E3L036256
BDB036256
|
US12252493, Example 25
CNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
|
C22H24FN7O 421.480000 |
TVRKPPMJTOJUHI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727075; PubChem:CID155369177
|
Local ready
Direct docking supported
|
|
E3L036257
BDB036257
|
US12252493, Example 26
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(C)C)nc23)n(C)n1
|
C23H26FN7O 435.507000 |
RRIIZQBJUAHTOG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727076; PubChem:CID155369187
|
Local ready
Direct docking supported
|
|
E3L036258
BDB036258
|
US12252493, Example 27
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CNCCS(=O)(=O)F)nc23)n(C)n1
|
C23H25F2N7O3S 517.562000 |
PDIOGMZANVLCAM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727077; PubChem:CID155369165
|
Local ready
Direct docking supported
|
|
E3L036259
BDB036259
|
US12252493, Example 28
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(CCS(=O)(=O)F)CCS(=O)(=O)F)nc23)n(C)n1
|
C25H28F3N7O5S2 627.671000 |
RNIIMMUVXIAXKW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727078; PubChem:CID155383073
|
Local ready
Direct docking supported
|
|
E3L036260
BDB036260
|
US12252493, Example 29
Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN3CCC3)nc12
|
C23H24FN7O 433.491000 |
YMUOAUVOALDIJI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM727079; PubChem:CID155369172
|
Local ready
Direct docking supported
|