| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013041
BDB013041
|
US9580437, Example 39
CS(=O)(=O)Nc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1F
|
C21H18F2N6O3S 472.477000 |
VLICJCBHZFTWEH-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291724; PubChem:CID121432832
|
Local ready
Direct docking supported
|
|
E3L013042
BDB013042
|
US9580437, Example 40
O=S(=O)(NCCO)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C22H22N6O4S 466.523000 |
NPPOEFFPKZTXHG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291725; PubChem:CID121432833
|
Local ready
Direct docking supported
|
|
E3L013043
BDB013043
|
US9580437, Example 41
O=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1)N1CCNCC1
|
C25H25N7O2 455.522000 |
LCKXPIFVVRMPRZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291726; PubChem:CID121433050
|
Local ready
Direct docking supported
|
|
E3L013044
BDB013044
|
US9580437, Example 42
CN(C)C(=O)c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1
|
C23H22N6O2 414.469000 |
YFRHDMLBVJDGBP-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291727; PubChem:CID121432952
|
Local ready
Direct docking supported
|
|
E3L013045
BDB013045
|
US9580437, Example 43
CN(C)C(=O)c1cccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
|
C23H22N6O2 414.469000 |
CAYAKWXWGOQEEL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291728; PubChem:CID121432871
|
Local ready
Direct docking supported
|
|
E3L013046
BDB013046
|
US9580437, Example 44
Fc1ccc2c(c1CNc1ncc(-c3cccnc3)c3nncn13)CCO2
|
C19H15FN6O 362.368000 |
GNJGTNXXYAEHGW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291729; PubChem:CID121412518
|
Local ready
Direct docking supported
|
|
E3L013047
BDB013047
|
US9580437, Example 45
Fc1ccc2c(c1CNc1ncc(-c3ccncc3)c3nncn13)CCO2
|
C19H15FN6O 362.368000 |
CSPXDMZBCCSNGU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291730; PubChem:CID121432929
|
Local ready
Direct docking supported
|
|
E3L013048
BDB013048
|
US9580437, Example 46
CC(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1)N1CCCC1
|
C26H27FN6O 458.541000 |
AZNMMGCWXFGEFI-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291731; PubChem:CID121433051
|
Local ready
Direct docking supported
|
|
E3L013049
BDB013049
|
US9580437, Example 47
Fc1ccncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
|
C19H14F2N6O 380.358000 |
MNNUANXCGONYRO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291732; PubChem:CID121433052
|
Local ready
Direct docking supported
|
|
E3L013050
BDB013050
|
US9580437, Example 48
Nc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C19H17N7O 359.393000 |
YPMMCNYZKNTTQF-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291733; PubChem:CID121432946
|
Local ready
Direct docking supported
|
|
E3L013051
BDB013051
|
US9580437, Example 49
Cc1cc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)ccc1C(=O)N(C)C
|
C24H24N6O2 428.496000 |
UCYQQCILVOBLSS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291734; PubChem:CID121433053
|
Local ready
Direct docking supported
|
|
E3L013052
BDB013052
|
US9580437, Example 50
Clc1ccncc1-c1cnc(NCc2cccc3c2CCO3)n2cnnc12
|
C19H15ClN6O 378.823000 |
ZQBHCGPYAWEMIS-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291735; PubChem:CID121433054
|
Local ready
Direct docking supported
|
|
E3L013053
BDB013053
|
US9580437, Example 51
c1cc(CNc2ncc(-c3cncnc3)c3nncn23)c2c(c1)OCC2
|
C18H15N7O 345.366000 |
IRSPKVWRIZJRKO-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291736; PubChem:CID121432873
|
Local ready
Direct docking supported
|
|
E3L013054
BDB013054
|
US9580437, Example 52
Cc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C20H18N6O 358.405000 |
BQFXLUOOTOFCQK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291737; PubChem:CID121432865
|
Local ready
Direct docking supported
|
|
E3L013055
BDB013055
|
US9580437, Example 53
CN(C)CCc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C23H25N7O 415.501000 |
HYUFYHHIABEMLU-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291738; PubChem:CID121432945
|
Local ready
Direct docking supported
|
|
E3L013056
BDB013056
|
US9580437, Example 54
COc1ncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C19H17N7O2 375.392000 |
BLANPPVVNWRPMJ-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291739; PubChem:CID121432957
|
Local ready
Direct docking supported
|
|
E3L013057
BDB013057
|
US9580437, Example 55
CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1
|
C23H21FN6O2 432.459000 |
IFURXQGNBDRQCZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291740; PubChem:CID121433055
|
Local ready
Direct docking supported
|
|
E3L013058
BDB013058
|
US9580437, Example 56
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
|
C20H17FN6O3S 440.460000 |
JJWAMRZWTGVLGV-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291741; PubChem:CID121432834
|
Local ready
Direct docking supported
|
|
E3L013059
BDB013059
|
US9580437, Example 57
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
|
C20H17FN6O 376.395000 |
DOJOTHYDSVQASF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291742; PubChem:CID121432869
|
Local ready
Direct docking supported
|
|
E3L013060
BDB013060
|
US9580437, Example 58
Nc1cc(F)c(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1
|
C19H16FN7O 377.383000 |
UIHKWIRREAUTPG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291743; PubChem:CID121433056
|
Local ready
Direct docking supported
|