| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013101
BDB013101
|
US9580437, Example 99
CC(C)(O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C22H22N6O2 402.458000 |
ABUKMYSLIKFEPI-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291784; PubChem:CID121432878
|
Local ready
Direct docking supported
|
|
E3L013102
BDB013102
|
US9580437, Example 100
FC1(F)CCN(CCc2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)C1
|
C25H25F2N7O 477.519000 |
FYNWPJVYFPSZCO-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291785; PubChem:CID121432962
|
Local ready
Direct docking supported
|
|
E3L013103
BDB013103
|
US9580437, Example 101
CC1(C)COC(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)=N1
|
C24H23N7O2 441.495000 |
LCEAJAZTHFIGTQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291786; PubChem:CID121433066
|
Local ready
Direct docking supported
|
|
E3L013104
BDB013104
|
US9580437, Example 102
CN(C)CCN(C)C(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C25H28N8O2 472.553000 |
BMNLIJATOXLROW-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291787; PubChem:CID121432885
|
Local ready
Direct docking supported
|
|
E3L013105
BDB013105
|
US9580437, Example 103
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1N1CCCC1
|
C24H25N7O 427.512000 |
LAOYBMAUKNELIZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291788; PubChem:CID121432964
|
Local ready
Direct docking supported
|
|
E3L013106
BDB013106
|
US9580437, Example 104
O=C1CN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CCN1
|
C23H22N8O2 442.483000 |
CJYTYLFWFWRYEO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291789; PubChem:CID121432848
|
Local ready
Direct docking supported
|
|
E3L013107
BDB013107
|
US9580437, Example 105
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1N1CCNC(=O)C1
|
C24H24N8O2 456.510000 |
MGRZABWUDJKVOB-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291790; PubChem:CID121432948
|
Local ready
Direct docking supported
|
|
E3L013108
BDB013108
|
US9580437, Example 106
CS(=O)(=O)CCOc1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C22H22N6O4S 466.523000 |
XFUAFESCBCAXHS-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291791; PubChem:CID121433068
|
Local ready
Direct docking supported
|
|
E3L013109
BDB013109
|
US9580437, Example 107
O=CN1CCN(CCc2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C26H28N8O2 484.564000 |
ILAGMDVVNQKKBN-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291792; PubChem:CID121432958
|
Local ready
Direct docking supported
|
|
E3L013110
BDB013110
|
US9580437, Example 108
CC(=O)N1CCN(CCc2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C27H30N8O2 498.591000 |
GHHHISNURKFXLX-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291793; PubChem:CID121432886
|
Local ready
Direct docking supported
|
|
E3L013111
BDB013111
|
US9580437, Example 109
O=C1CN(CCc2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CCN1
|
C25H26N8O2 470.537000 |
IHFLNORWUOBGOO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291794; PubChem:CID121432890
|
Local ready
Direct docking supported
|
|
E3L013112
BDB013112
|
US9580437, Example 110
OCCN1CCN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C25H28N8O2 472.553000 |
HALWGZKFCDHYQE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291795; PubChem:CID121432963
|
Local ready
Direct docking supported
|
|
E3L013113
BDB013113
|
US9580437, Example 111
CNc1cc(F)c(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H18FN7O 391.410000 |
BQAZIUUPZQMEJK-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291796; PubChem:CID121432868
|
Local ready
Direct docking supported
|
|
E3L013114
BDB013114
|
US9580437, Example 112
CN(C)c1cc(F)c(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C21H20FN7O 405.437000 |
BWZSRGIKOURNCJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291797; PubChem:CID121432965
|
Local ready
Direct docking supported
|
|
E3L013115
BDB013115
|
US9580437, Example 113
O=CN1CCCN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC1
|
C25H26N8O2 470.537000 |
KBQFGSXTQYZJTA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291798; PubChem:CID121432891
|
Local ready
Direct docking supported
|
|
E3L013116
BDB013116
|
US9580437, Example 114
CCNC(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C22H21N7O2 415.457000 |
MRIVDLPXKDFYAY-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291799; PubChem:CID121433069
|
Local ready
Direct docking supported
|
|
E3L013117
BDB013117
|
US9580437, Example 115
Fc1ccc2c(c1CNc1ncc(-c3cccnc3F)c3nncn13)CCO2
|
C19H14F2N6O 380.358000 |
OXHGVTTVUPZVPG-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291800; PubChem:CID121432879
|
Local ready
Direct docking supported
|
|
E3L013118
BDB013118
|
US9580437, Example 116
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)ccn1
|
C20H17FN6O 376.395000 |
HDSWNQKFXBYHKU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291801; PubChem:CID121432849
|
Local ready
Direct docking supported
|
|
E3L013119
BDB013119
|
US9580437, Example 117
O=C1OCCN1c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C22H19N7O3 429.440000 |
KRINQRRYPHNQOX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291802; PubChem:CID121432967
|
Local ready
Direct docking supported
|
|
E3L013120
BDB013120
|
US9580437, Example 118
Cc1ccncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C20H17FN6O 376.395000 |
OJMACNFLNLFVCW-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291803; PubChem:CID121432867
|
Local ready
Direct docking supported
|