| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020801
BDB020801
|
BDBM498093
CS(=O)(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C20H21FN6O3S 444.492000 |
QSXSEHSVLOJKKQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498093; PubChem:CID138516170
|
Local ready
Direct docking supported
|
|
E3L020802
BDB020802
|
BDBM498095
Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(NCc4c(F)ccc5c4CCO5)n4cnnc34)CC2)cc1
|
C26H25FN6O3S 520.590000 |
FNOJLACFKLOHLN-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498095; PubChem:CID155064948
|
Local ready
Direct docking supported
|
|
E3L020803
BDB020803
|
BDBM498096
CC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C21H21FN6O2 408.437000 |
CZSNMOPTOAOXSM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498096; PubChem:CID138516295
|
Local ready
Direct docking supported
|
|
E3L020804
BDB020804
|
BDBM498097
O=C(c1ccccc1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C26H23FN6O2 470.508000 |
NQYUAIRBSLFUIP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498097; PubChem:CID138515967
|
Local ready
Direct docking supported
|
|
E3L020805
BDB020805
|
BDBM498098
CCNC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H24FN7O2 437.479000 |
FJCBMSWDZOFUHF-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498098; PubChem:CID138516232
|
Local ready
Direct docking supported
|
|
E3L020806
BDB020806
|
BDBM498100
CC(C)(C)NC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C24H28FN7O2 465.533000 |
AKBQMRUQFZTGJP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498100; PubChem:CID138515968
|
Local ready
Direct docking supported
|
|
E3L020807
BDB020807
|
BDBM498101
CCNC(=S)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H24FN7OS 453.547000 |
XXIYZBNCALNBRM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498101; PubChem:CID138515954
|
Local ready
Direct docking supported
|
|
E3L020808
BDB020808
|
BDBM498102
CC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C17H18N6O2 338.371000 |
WZHRHBHKZPCUTK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498102; PubChem:CID138516183
|
Local ready
Direct docking supported
|
|
E3L020809
BDB020809
|
BDBM498104
O=C(c1ccccc1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C22H20N6O2 400.442000 |
WSWAVUBNGPYQHJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498104; PubChem:CID138516108
|
Local ready
Direct docking supported
|
|
E3L020810
BDB020810
|
BDBM498106
CS(=O)(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C16H18N6O3S 374.426000 |
DSRGQUAKJMFUEU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498106; PubChem:CID138516175
|
Local ready
Direct docking supported
|
|
E3L020811
BDB020811
|
BDBM498107
Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(NCc4ccco4)n4cnnc34)CC2)cc1
|
C22H22N6O3S 450.524000 |
UOZNOEFRBLMVOE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498107; PubChem:CID138516179
|
Local ready
Direct docking supported
|
|
E3L020812
BDB020812
|
BDBM498109
CCNC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C18H21N7O2 367.413000 |
NUXDGTICHKUALT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498109; PubChem:CID138516176
|
Local ready
Direct docking supported
|
|
E3L020813
BDB020813
|
BDBM498110
CC(C)(C)NC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C20H25N7O2 395.467000 |
IHPVMYOGNXSUKI-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498110; PubChem:CID138516185
|
Local ready
Direct docking supported
|
|
E3L020814
BDB020814
|
BDBM498111
Cc1ccc(NC(=O)N2CC=C(c3cnc(NCc4ccco4)n4cnnc34)CC2)cc1
|
C23H23N7O2 429.484000 |
JNCVEBKTGSGHRB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498111; PubChem:CID138516180
|
Local ready
Direct docking supported
|
|
E3L020815
BDB020815
|
BDBM498112
O=C(Nc1ccc(Cl)cc1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C22H20ClN7O2 449.902000 |
DOCONWDVCZWOLR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498112; PubChem:CID138516181
|
Local ready
Direct docking supported
|
|
E3L020816
BDB020816
|
BDBM498113
O=C(NCc1ccccc1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C23H23N7O2 429.484000 |
UMVGGSVJWIAHAH-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498113; PubChem:CID138516349
|
Local ready
Direct docking supported
|
|
E3L020817
BDB020817
|
BDBM498114
CC(=O)NC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C18H20N6O2 352.398000 |
ADMVIJGJTMTYSJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498114; PubChem:CID138516177
|
Local ready
Direct docking supported
|
|
E3L020818
BDB020818
|
BDBM498115
O=C(NC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1)c1ccccc1
|
C23H22N6O2 414.469000 |
BOLVCFKVQHKPDZ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498115; PubChem:CID138516182
|
Local ready
Direct docking supported
|
|
E3L020819
BDB020819
|
BDBM498116
CS(=O)(=O)NC1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C17H20N6O3S 388.453000 |
BMOCCPFBSUUTKQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498116; PubChem:CID155064934
|
Local ready
Direct docking supported
|
|
E3L020820
BDB020820
|
BDBM498117
CC(F)(F)C(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C18H18F2N6O2 388.378000 |
VONJZPYFHILAOU-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498117; PubChem:CID138516178
|
Local ready
Direct docking supported
|