| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013021
BDB013021
|
US9580437, Example 19
CS(=O)(=O)Nc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C21H20N6O3S 436.497000 |
JGVIYWBWIOPMRP-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291704; PubChem:CID121432822
|
Local ready
Direct docking supported
|
|
E3L013022
BDB013022
|
US9580437, Example 20
CN1CCN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C24H26N8O 442.527000 |
NYTZVHWDEHDTOE-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291705; PubChem:CID121432933
|
Local ready
Direct docking supported
|
|
E3L013023
BDB013023
|
US9580437, Example 21
COc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H18N6O2 374.404000 |
VXNSCJKYRXWZBL-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291706; PubChem:CID121433048
|
Local ready
Direct docking supported
|
|
E3L013024
BDB013024
|
US9580437, Example 22
CC1Cc2c(CNc3ncc(-c4ccc(CN(C)C)cc4)c4nncn34)cccc2O1
|
C24H26N6O 414.513000 |
FWQKPURJIPOXGA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291707; PubChem:CID121432826
|
Local ready
Direct docking supported
|
|
E3L013025
BDB013025
|
US9580437, Example 23
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1
|
C23H23FN6O 418.476000 |
WNAYIFPHONNPRQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291708; PubChem:CID121432940
|
Local ready
Direct docking supported
|
|
E3L013026
BDB013026
|
US9580437, Example 24
Cc1nn(C)c(C)c1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C20H21N7O 375.436000 |
JLAWMGJSJFQKMC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291709; PubChem:CID121432823
|
Local ready
Direct docking supported
|
|
E3L013027
BDB013027
|
US9580437, Example 25
Cn1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C18H17N7O 347.382000 |
DLRCFWDDBCODBH-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291710; PubChem:CID121432824
|
Local ready
Direct docking supported
|
|
E3L013028
BDB013028
|
US9580437, Example 26
CS(=O)(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c(F)c1
|
C21H18FN5O3S 439.472000 |
KLJTUMXCKOCZGT-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291711; PubChem:CID121432942
|
Local ready
Direct docking supported
|
|
E3L013029
BDB013029
|
US9580437, Example 27
CS(=O)(=O)c1cccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C21H19N5O3S 421.482000 |
UBMOAKFITGPYMP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291712; PubChem:CID121432825
|
Local ready
Direct docking supported
|
|
E3L013030
BDB013030
|
US9580437, Example 28
CS(=O)(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H18N6O3S 422.470000 |
SKEJWSYZJDVPDG-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291713; PubChem:CID121432829
|
Local ready
Direct docking supported
|
|
E3L013031
BDB013031
|
US9580437, Example 29
O=S(=O)(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1)C1CCNCC1
|
C25H26N6O3S 490.589000 |
NOOTVYAYPNGLDI-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291714; PubChem:CID121432839
|
Local ready
Direct docking supported
|
|
E3L013032
BDB013032
|
US9580437, Example 30
Cc1nn(C)cc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C19H19N7O 361.409000 |
LXRKDAIPQPZDBT-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291715; PubChem:CID121433043
|
Local ready
Direct docking supported
|
|
E3L013033
BDB013033
|
US9580437, Example 31
Fc1ccccc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C20H16FN5O 361.380000 |
BLRTZJGHISSYGZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291716; PubChem:CID121433044
|
Local ready
Direct docking supported
|
|
E3L013034
BDB013034
|
US9580437, Example 32
Clc1ccccc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C20H16ClN5O 377.835000 |
PDCGXAVHOQAIHN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291717; PubChem:CID121432950
|
Local ready
Direct docking supported
|
|
E3L013035
BDB013035
|
US9580437, Example 33
CS(=O)(=O)Nc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1F
|
C21H19FN6O3S 454.487000 |
MCDUVHPSPUQYPE-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291718; PubChem:CID121432831
|
Local ready
Direct docking supported
|
|
E3L013036
BDB013036
|
US9580437, Example 34
OCCn1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C19H19N7O2 377.408000 |
YZIXZSXWTBDPBF-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291719; PubChem:CID121432927
|
Local ready
Direct docking supported
|
|
E3L013037
BDB013037
|
US9580437, Example 35
CN(C)CCc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C24H26N6O 414.513000 |
RNUJULGJVKPSBQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291720; PubChem:CID121433045
|
Local ready
Direct docking supported
|
|
E3L013038
BDB013038
|
US9580437, Example 36
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1N1CCN(C)CC1
|
C25H28N8O 456.554000 |
YOHCSVVQVICFEW-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291721; PubChem:CID121432928
|
Local ready
Direct docking supported
|
|
E3L013039
BDB013039
|
US9580437, Example 37
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1
|
C21H18FN5O3S 439.472000 |
FHAZGSWPENWBHD-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291722; PubChem:CID121432861
|
Local ready
Direct docking supported
|
|
E3L013040
BDB013040
|
US9580437, Example 38
OCCOc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C22H21N5O3 403.442000 |
YXDBSEMENXNFDW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291723; PubChem:CID121433049
|
Local ready
Direct docking supported
|