| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035081
BDB035081
|
US20240398811, Example 169
COC(=O)n1nc(C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C22H18FN7O3 447.430000 |
NZOCTEYGVCOIFP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707103; PubChem:CID172991676
|
Local ready
Direct docking supported
|
|
E3L035082
BDB035082
|
US11091495, Example 173
[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1)N(C)C
|
C26H25FN6O 458.537204 |
FLCIOLFIDGTRCI-FNHLFAINSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707107; PubChem:CID155788047
|
Local ready
Direct docking supported
|
|
E3L035083
BDB035083
|
US11091495, Example 187
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3C#N)c2n1
|
C23H15FN6O 410.412000 |
TWYPHVCCCUCUHQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707121; PubChem:CID156050989
|
Local ready
Direct docking supported
|
|
E3L035084
BDB035084
|
US11091495, Example 188
N#Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccn1
|
C22H14FN7O 411.400000 |
YPCJINHFCMZDAQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707122; PubChem:CID156050944
|
Local ready
Direct docking supported
|
|
E3L035085
BDB035085
|
US11091495, Example 191
COCCOc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H20FN7O3 461.457000 |
ISBXAPRIQWXGCC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707125; PubChem:CID156050911
|
Local ready
Direct docking supported
|
|
E3L035086
BDB035086
|
US11091495, Example 198
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C#N)c1
|
C26H22FN7O 467.508000 |
DFFPAXCRFUBMOA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707132; PubChem:CID156050962
|
Local ready
Direct docking supported
|
|
E3L035087
BDB035087
|
US11091495, Example 201
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1C#N
|
C26H22FN7O 467.508000 |
CZAAZRXLUIBAEL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707135; PubChem:CID156050905
|
Local ready
Direct docking supported
|
|
E3L035088
BDB035088
|
US20240398811, Example 202
[2H]C([2H])([2H])N(Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1)C([2H])([2H])[2H]
|
C26H25FN6O 462.561611 |
FLCIOLFIDGTRCI-XERRXZQWSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707136; PubChem:CID155787996
|
Local ready
Direct docking supported
|
|
E3L035089
BDB035089
|
BDBM707137
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCNC4)c2n1
|
C25H21FN6O 440.482000 |
WVAWYXLXRBQNHE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707137; PubChem:CID152329158
|
Local ready
Direct docking supported
|
|
E3L035090
BDB035090
|
BDBM707140
COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)c1
|
C26H24FN5O3 473.508000 |
DUXYHMYBFJIRAW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707140; PubChem:CID139371008
|
Local ready
Direct docking supported
|
|
E3L035091
BDB035091
|
BDBM707141
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2C(O)CO3)n2cc(C#N)nc12
|
C26H25FN6O2 472.524000 |
MIACXTOAOOEYRF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707141; PubChem:CID155676910
|
Local ready
Direct docking supported
|
|
E3L035092
BDB035092
|
BDBM707142
CNC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C22H19FN8O2 446.446000 |
PUUDAUWNSZGWMD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707142; PubChem:CID155676987
|
Local ready
Direct docking supported
|
|
E3L035093
BDB035093
|
BDBM707143
CN(C)Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C23H23FN8O 446.490000 |
WDAFAPSQJVMAAM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707143; PubChem:CID155676982
|
Local ready
Direct docking supported
|
|
E3L035094
BDB035094
|
US11485738, Example 211
CNCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C22H21FN8O 432.463000 |
JQESEJAYPJNATJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707144; PubChem:CID155676912
|
Local ready
Direct docking supported
|
|
E3L035095
BDB035095
|
BDBM707145
Cn1nc(C#N)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C21H15FN8O 414.404000 |
KHCUUJBQMHEFFX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707145; PubChem:CID139371713
|
Local ready
Direct docking supported
|
|
E3L035096
BDB035096
|
US20240398811, Example 213
Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C32H33FN6O3 568.653000 |
ANUTYVDNSIRALF-MHZLTWQESA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707146; PubChem:CID172991677
|
Local ready
Direct docking supported
|
|
E3L035097
BDB035097
|
US20240398811, Example 214
Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C32H33FN6O3 568.653000 |
ANUTYVDNSIRALF-HHHXNRCGSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707147; PubChem:CID172991678
|
Local ready
Direct docking supported
|
|
E3L035098
BDB035098
|
BDBM707148
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)nc3)c2n1
|
C22H15FN6O3 430.399000 |
VMPDLFKFCKRYRQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707148; PubChem:CID155676938
|
Local ready
Direct docking supported
|
|
E3L035099
BDB035099
|
BDBM707149
CN(C)Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H21FN8O 444.474000 |
OGGJAWYOWLHRHX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707149; PubChem:CID139371000
|
Local ready
Direct docking supported
|
|
E3L035100
BDB035100
|
BDBM707150
CN(C)CCc1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1
|
C26H25FN6O 456.525000 |
FJGUSPHJPZYYAJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM707150; PubChem:CID139370710
|
Local ready
Direct docking supported
|