| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021321
BDB021321
|
US11091495, Example 163
CN(C)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C26H25FN6O 456.525000 |
UJORTQXRCVKJIH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513802; PubChem:CID155788074
|
Local ready
Direct docking supported
|
|
E3L021322
BDB021322
|
US11091495, Example 164
CCOP(=O)(OCC)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C26H25FN5O4P 521.489000 |
ULCNMWAWQKJSNY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513803; PubChem:CID156050948
|
Local ready
Direct docking supported
|
|
E3L021323
BDB021323
|
US11091495, Example 166
COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H17FN6O3 444.426000 |
PDLWLOSONZIQQV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513805; PubChem:CID155788127
|
Local ready
Direct docking supported
|
|
E3L021324
BDB021324
|
US11091495, Example 167
COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C24H18FN5O3 443.438000 |
CKUPHBSZAYMVSP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513806; PubChem:CID155788122
|
Local ready
Direct docking supported
|
|
E3L021325
BDB021325
|
US11091495, Example 168
CN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)ccc2C1=O
|
C26H21FN6O2 468.492000 |
BINKQLRJNWVEBR-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513807; PubChem:CID155788065
|
Local ready
Direct docking supported
|
|
E3L021326
BDB021326
|
US11485738, Example 169
COC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C22H18FN7O3 447.430000 |
HTQKSDCXETZAJW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513808; PubChem:CID156051113
|
Local ready
Direct docking supported
|
|
E3L021327
BDB021327
|
US11091495, Example 170
CN(C)C(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
|
C23H21FN8O2 460.473000 |
PWPLILAVZPAYIU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513809; PubChem:CID155676970
|
Local ready
Direct docking supported
|
|
E3L021328
BDB021328
|
US11091495, Example 171
CN(C)C1(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)CC1
|
C27H25FN6O 468.536000 |
NYJVWPDAWBYCFI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513810; PubChem:CID155788164
|
Local ready
Direct docking supported
|
|
E3L021329
BDB021329
|
US11091495, Example 172
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CCNC4=O)c2n1
|
C25H19FN6O2 454.465000 |
DDNCZCQKZAMSHN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513811; PubChem:CID156051055
|
Local ready
Direct docking supported
|
|
E3L021330
BDB021330
|
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:BDBM513812; PubChem:CID155788047
|
Local ready
Direct docking supported
|
|
E3L021331
BDB021331
|
US11091495, Example 174
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1
|
C23H16FN5O3 429.411000 |
YKIGHQQQYYRANS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513813; PubChem:CID155787984
|
Local ready
Direct docking supported
|
|
E3L021332
BDB021332
|
US11091495, Example 175
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C23H18FN5O 399.429000 |
SMOGNKYOJRPLBS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513814; PubChem:CID155788084
|
Local ready
Direct docking supported
|
|
E3L021333
BDB021333
|
US11091495, Example 176
Cc1c(C#N)cccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H17FN6O 424.439000 |
RJZWPKDRILLWOY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513815; PubChem:CID155788046
|
Local ready
Direct docking supported
|
|
E3L021334
BDB021334
|
US11091495, Example 177
Cc1ccc(C#N)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C24H17FN6O 424.439000 |
ZIPIJERVXUXJAA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513816; PubChem:CID155788166
|
Local ready
Direct docking supported
|
|
E3L021335
BDB021335
|
US11091495, Example 178
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)ccn1
|
C22H17FN6O 400.417000 |
BPXKZPSUOJQKKP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513817; PubChem:CID155787992
|
Local ready
Direct docking supported
|
|
E3L021336
BDB021336
|
US11091495, Example 179
CC(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C22H20FN7O2 433.447000 |
ZTFMSQSTAHJAPT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513818; PubChem:CID155788150
|
Local ready
Direct docking supported
|
|
E3L021337
BDB021337
|
US11091495, Example 180
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C25H21FN6O2 456.481000 |
ZTQVUCDWYFVGNX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513819; PubChem:CID155787974
|
Local ready
Direct docking supported
|
|
E3L021338
BDB021338
|
US11091495, Example 181
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1
|
C27H23FN6O3 498.518000 |
FOEZFMSDBMCFGR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513820; PubChem:CID155788135
|
Local ready
Direct docking supported
|
|
E3L021339
BDB021339
|
US11091495, Example 182
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CCO)c3)c2n1
|
C21H18FN7O2 419.420000 |
FWRKPJUHHIDPEE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513821; PubChem:CID155788179
|
Local ready
Direct docking supported
|
|
E3L021340
BDB021340
|
US11091495, Example 183
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)cc3)c2n1
|
C23H16FN5O3 429.411000 |
HBWVNXDFUHMOHQ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513822; PubChem:CID155788112
|
Local ready
Direct docking supported
|