| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019041
BDB019041
|
US10676479, Example 11
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(-c4ncco4)c23)c(C)n1
|
C24H20FN7O2 457.469000 |
YPQWPAMAYXWZLK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450979; PubChem:CID139346197
|
Local ready
Direct docking supported
|
|
E3L019042
BDB019042
|
US10676479, Example 12
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
|
C22H17FN6O 400.417000 |
ORRSIPZEJAGGKP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450980; PubChem:CID139346217
|
Local ready
Direct docking supported
|
|
E3L019043
BDB019043
|
US10676479, Example 13
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c12
|
C22H18F3N5O3S 489.479000 |
XAYWQJNGHASKNL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450981; PubChem:CID139346208
|
Local ready
Direct docking supported
|
|
E3L019044
BDB019044
|
US10676479, Example 14
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(=O)(=O)c4ccccc4)c23)c(C)n1
|
C27H23FN6O3S 530.585000 |
KGWISPRJFRVEGL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450982; PubChem:CID139346253
|
Local ready
Direct docking supported
|
|
E3L019045
BDB019045
|
US10676479, Example 15
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc([S+]([O-])c4ccccc4)c23)c(C)n1
|
C27H23FN6O2S 514.586000 |
BGXWGWQDFNTTNZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450983; PubChem:CID139346179
|
Local ready
Direct docking supported
|
|
E3L019046
BDB019046
|
US10676479, Example 16
CC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)nc3C)c12
|
C23H21FN6O2 432.459000 |
UYKAUDISVFXYRM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450985; PubChem:CID139346277
|
Local ready
Direct docking supported
|
|
E3L019047
BDB019047
|
US10676479, Example 17
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C24H24FN5O 417.488000 |
FQYQKMRFHCVLGN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450986; PubChem:CID139346261
|
Local ready
Direct docking supported
|
|
E3L019048
BDB019048
|
US10676479, Example 18
CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C23H22FN5O3S 467.526000 |
IXOMXHCRZBPDTM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450987; PubChem:CID139346176
|
Local ready
Direct docking supported
|
|
E3L019049
BDB019049
|
US10676479, Example 19
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C22H19FN4O3S 438.484000 |
GODPEQODUHAZTF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450988; PubChem:CID139346332
|
Local ready
Direct docking supported
|
|
E3L019050
BDB019050
|
US10676479, Example 20
Fc1ccc2c(c1CNc1ncc(-c3ccncc3)c3cncn13)CCO2
|
C20H16FN5O 361.380000 |
JNXYDACJHPHJJT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450989; PubChem:CID139346260
|
Local ready
Direct docking supported
|
|
E3L019051
BDB019051
|
US10676479, Example 21
Fc1ccc2c(c1CNc1ncc(-c3cccnc3F)c3cncn13)CCO2
|
C20H15F2N5O 379.370000 |
CTEOMWHGRNOILB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450990; PubChem:CID139346180
|
Local ready
Direct docking supported
|
|
E3L019052
BDB019052
|
US10676479, Example 22
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C21H18FN5O3S 439.472000 |
CYKBBRZJDUAZJW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450991; PubChem:CID139346316
|
Local ready
Direct docking supported
|
|
E3L019053
BDB019053
|
US10676479, Example 23
NS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C21H18FN5O3S 439.472000 |
FMKWCZINDLWNKL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450992; PubChem:CID139346188
|
Local ready
Direct docking supported
|
|
E3L019054
BDB019054
|
US10676479, Example 24
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccn1
|
C21H18FN5O 375.407000 |
DMCMUHXCIDQFES-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450993; PubChem:CID139346168
|
Local ready
Direct docking supported
|
|
E3L019055
BDB019055
|
US10676479, Example 25
Cc1cnccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C21H18FN5O 375.407000 |
TZLIDJIDCBJDPA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450994; PubChem:CID139346250
|
Local ready
Direct docking supported
|
|
E3L019056
BDB019056
|
US10676479, Example 26
CN1CCc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cc2C1
|
C25H24FN5O 429.499000 |
KIEBZMWIHCBGME-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450995; PubChem:CID139346193
|
Local ready
Direct docking supported
|
|
E3L019057
BDB019057
|
US10676479, Example 27
CS(=O)(=O)c1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)c1
|
C22H19FN4O3S 438.484000 |
QWQHIRBPLPABLE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450996; PubChem:CID139346207
|
Local ready
Direct docking supported
|
|
E3L019058
BDB019058
|
US10676479, Example 28
Fc1ccc2c(c1CNc1ncc(-c3cccnc3)c3cncn13)CCO2
|
C20H16FN5O 361.380000 |
BZSYVCVLCVILPF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450997; PubChem:CID139346241
|
Local ready
Direct docking supported
|
|
E3L019059
BDB019059
|
N-(4-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-
CS(=O)(=O)Nc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C22H20FN5O3S 453.499000 |
PLRWXTJBRGSCQY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM450999; PubChem:CID139346205
|
Local ready
Direct docking supported
|
|
E3L019060
BDB019060
|
US10676479, Example 30
CC(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1
|
C24H23FN4O3S 466.538000 |
VTHPHTNFFMTPAN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451000; PubChem:CID139346202
|
Local ready
Direct docking supported
|