| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021201
BDB021201
|
US11091495, Example 41
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnn1
|
C21H16FN7O 401.405000 |
GFEAHOVOZGDKPN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513680; PubChem:CID155788017
|
Local ready
Direct docking supported
|
|
E3L021202
BDB021202
|
US11091495, Example 42
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)c1F
|
C25H19F3N6O2 492.461000 |
RGJMRCLTWJSRTM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513681; PubChem:CID155788185
|
Local ready
Direct docking supported
|
|
E3L021203
BDB021203
|
US11091495, Example 43
Cc1cc(C(=O)N(C)C)c(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C26H22F2N6O2 488.498000 |
YMUFEFMSYPTSRF-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513682; PubChem:CID155787971
|
Local ready
Direct docking supported
|
|
E3L021204
BDB021204
|
US11091495, Example 44
Cc1cc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C26H23FN6O2 470.508000 |
CDNBNWUIUFKCCC-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513683; PubChem:CID155788034
|
Local ready
Direct docking supported
|
|
E3L021205
BDB021205
|
US11091495, Example 45
CN(C)C(=O)c1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
|
C25H19F3N6O2 492.461000 |
SBOLYPVWXJADNQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513684; PubChem:CID155788018
|
Local ready
Direct docking supported
|
|
E3L021206
BDB021206
|
US11091495, Example 46
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c2n1
|
C22H16FN5O 385.402000 |
YNCFEDAZGLIDEG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513685; PubChem:CID155788099
|
Local ready
Direct docking supported
|
|
E3L021207
BDB021207
|
US11091495, Example 47
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
|
C22H17FN6O3S 464.482000 |
HIYZTXIRVSPJIP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513686; PubChem:CID155788155
|
Local ready
Direct docking supported
|
|
E3L021208
BDB021208
|
US11091495, Example 48
Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C25H23FN6O3S 506.563000 |
YWKQPPBXESIUPC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513687; PubChem:CID155788140
|
Local ready
Direct docking supported
|
|
E3L021209
BDB021209
|
US11091495, Example 49
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1
|
C27H23FN6O2 482.519000 |
QTWMEBMCPCUWIG-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513688; PubChem:CID155788062
|
Local ready
Direct docking supported
|
|
E3L021210
BDB021210
|
US11091495, Example 50
COC1CN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)C1
|
C27H25FN6O2 484.535000 |
ITCWWKZLXUDHPA-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513689; PubChem:CID155788049
|
Local ready
Direct docking supported
|
|
E3L021211
BDB021211
|
US11091495, Example 51
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(F)(F)C4)cc3)c2n1
|
C26H21F3N6O 490.489000 |
JZAOZAYCVNLZHL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513690; PubChem:CID155787977
|
Local ready
Direct docking supported
|
|
E3L021212
BDB021212
|
US11091495, Example 52
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC5CC5C4)cc3)c2n1
|
C28H25FN6O 480.547000 |
QITBYXGVRFCEIQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513691; PubChem:CID155788014
|
Local ready
Direct docking supported
|
|
E3L021213
BDB021213
|
US11091495, Example 53
COC1CCN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)C1
|
C28H27FN6O2 498.562000 |
GVDRINQOIIDDSC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513692; PubChem:CID155788148
|
Local ready
Direct docking supported
|
|
E3L021214
BDB021214
|
US11091495, Example 54
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)C4)cc3)c2n1
|
C27H24F2N6O 486.526000 |
PSLHZKVMOWERSW-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM513693; PubChem:CID155788167
|
Local ready
Direct docking supported
|
|
E3L021215
BDB021215
|
US11091495, Example 55
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1
|
C27H23F3N6O 504.516000 |
OSVFUMKEOIGMJL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513694; PubChem:CID155787975
|
Local ready
Direct docking supported
|
|
E3L021216
BDB021216
|
US11091495, Example 56
Cc1nc(N2CCOCC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
|
C26H24FN7O2 485.523000 |
HAXSHUBRFSJHHL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513695; PubChem:CID155788153
|
Local ready
Direct docking supported
|
|
E3L021217
BDB021217
|
US11091495, Example 57
N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccncn3)c2n1
|
C20H14FN7O 387.378000 |
HGXPHBPWDKDDFU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513696; PubChem:CID155788000
|
Local ready
Direct docking supported
|
|
E3L021218
BDB021218
|
US11091495, Example 58
CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C24H21FN6O3S 492.536000 |
PCYOCVZDIXMWFX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513697; PubChem:CID155788121
|
Local ready
Direct docking supported
|
|
E3L021219
BDB021219
|
US11091495, Example 59
CNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
|
C23H19FN6O3S 478.509000 |
BEOXBKXWKLTLHX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513698; PubChem:CID155788015
|
Local ready
Direct docking supported
|
|
E3L021220
BDB021220
|
US11091495, Example 60
CN(C)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
|
C23H20FN7O 429.459000 |
OIUVPGNVYNJGQN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM513699; PubChem:CID155788159
|
Local ready
Direct docking supported
|