| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013061
BDB013061
|
US9580437, Example 59
Cc1noc(C)c1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C19H18N6O2 362.393000 |
SFKQKGOGICEUBO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291744; PubChem:CID121432954
|
Local ready
Direct docking supported
|
|
E3L013062
BDB013062
|
US9580437, Example 60
Cc1ncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C19H17N7O 359.393000 |
HYWSXOLNEXHKPD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291745; PubChem:CID121433057
|
Local ready
Direct docking supported
|
|
E3L013063
BDB013063
|
US9580437, Example 61
CN(C)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C21H21N7O 387.447000 |
IREKWSLTBJYDJC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291746; PubChem:CID121432835
|
Local ready
Direct docking supported
|
|
E3L013064
BDB013064
|
US9580437, Example 62
N#Cc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H15N7O 369.388000 |
GADTVVUDLGZZRJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291747; PubChem:CID121432857
|
Local ready
Direct docking supported
|
|
E3L013065
BDB013065
|
US9580437, Example 63
CCOc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C21H20N6O2 388.431000 |
XTNPGGSAHBUWJK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291748; PubChem:CID121432941
|
Local ready
Direct docking supported
|
|
E3L013066
BDB013066
|
US9580437, Example 64
Cc1c(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnn1C
|
C19H19N7O 361.409000 |
RNXHZXIWDYEBIN-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291749; PubChem:CID121432930
|
Local ready
Direct docking supported
|
|
E3L013067
BDB013067
|
US9580437, Example 65
c1cc(CNc2ncc(-c3ccc(C4CC4)nc3)c3nncn23)c2c(c1)OCC2
|
C22H20N6O 384.443000 |
ONDFGEDYOOIJBZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291750; PubChem:CID121432959
|
Local ready
Direct docking supported
|
|
E3L013068
BDB013068
|
US9580437, Example 66
COCCn1nc(C)c(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1C
|
C22H25N7O2 419.489000 |
JETHJPIRTANJAT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291751; PubChem:CID121432951
|
Local ready
Direct docking supported
|
|
E3L013069
BDB013069
|
US9580437, Example 67
Cc1nn(CCO)c(C)c1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C21H23N7O2 405.462000 |
IJWLKFMTKOETBV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291752; PubChem:CID121432837
|
Local ready
Direct docking supported
|
|
E3L013070
BDB013070
|
US9580437, Example 68
O=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1)N1CCOCC1
|
C24H23N7O3 457.494000 |
CHBIMHAOFODBNR-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291753; PubChem:CID121433059
|
Local ready
Direct docking supported
|
|
E3L013071
BDB013071
|
US9580437, Example 69
c1cc(CNc2ncc(-c3ccc(N4CCOCC4)nc3)c3nncn23)c2c(c1)OCC2
|
C23H23N7O2 429.484000 |
JBVOFMDTRKGNPG-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291754; PubChem:CID121432955
|
Local ready
Direct docking supported
|
|
E3L013072
BDB013072
|
US9580437, Example 70
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1S(C)(=O)=O
|
C21H20N6O3S 436.497000 |
GYACKHYVMFQXGK-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291755; PubChem:CID121432850
|
Local ready
Direct docking supported
|
|
E3L013073
BDB013073
|
US9580437, Example 71
Cc1noc(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C19H17FN6O2 380.383000 |
FLGZXKUSTHZVER-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291756; PubChem:CID121432956
|
Local ready
Direct docking supported
|
|
E3L013074
BDB013074
|
US9580437, Example 72
CN1CCN(C(=O)c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cnnc34)cc2)CC1
|
C26H26FN7O2 487.539000 |
YHLPAOMAIKCDDI-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291757; PubChem:CID121432845
|
Local ready
Direct docking supported
|
|
E3L013075
BDB013075
|
US9580437, Example 73
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cnc1N1CCOCC1
|
C24H25N7O2 443.511000 |
NWGDQZLHJMGZKJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291758; PubChem:CID121433060
|
Local ready
Direct docking supported
|
|
E3L013076
BDB013076
|
US9580437, Example 74
CC1CN(c2ccc(-c3cnc(NCc4cccc5c4CCO5)n4cnnc34)cn2)CC(C)O1
|
C25H27N7O2 457.538000 |
FYQNDJIEIPRDCS-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291759; PubChem:CID121432960
|
Local ready
Direct docking supported
|
|
E3L013077
BDB013077
|
US9580437, Example 75
CS(=O)(=O)CCOc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C23H23N5O4S 465.535000 |
CKJIESUJKLQWNT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291760; PubChem:CID121432931
|
Local ready
Direct docking supported
|
|
E3L013078
BDB013078
|
US9580437, Example 76
Nc1ccncc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C19H17N7O 359.393000 |
RRSFLZNKOZOYID-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291761; PubChem:CID121432936
|
Local ready
Direct docking supported
|
|
E3L013079
BDB013079
|
US9580437, Example 77
c1cc(CNc2ncc(-c3cncc(N4CCNCC4)c3)c3nncn23)c2c(c1)OCC2
|
C23H24N8O 428.500000 |
RJLVYDCJWDKSOB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291762; PubChem:CID121432870
|
Local ready
Direct docking supported
|
|
E3L013080
BDB013080
|
US9580437, Example 78
FC(F)Oc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H16F2N6O2 410.384000 |
UJCVLPBWAQOTMZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291763; PubChem:CID121433061
|
Local ready
Direct docking supported
|