| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020841
BDB020841
|
BDBM498140
O=S1(=O)CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C19H18FN5O3S 415.450000 |
WECHVOOMMFZEJW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498140; PubChem:CID138516089
|
Local ready
Direct docking supported
|
|
E3L020842
BDB020842
|
BDBM498141
C1=C(c2cnc(NCc3cccc4c3CCO4)n3cnnc23)CCOC1
|
C19H19N5O2 349.394000 |
HMQWXMWKXFUHHT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498141; PubChem:CID138516086
|
Local ready
Direct docking supported
|
|
E3L020843
BDB020843
|
BDBM498142
c1cc(CNc2ncc(C3CCOCC3)c3nncn23)c2c(c1)OCC2
|
C19H21N5O2 351.410000 |
ZAAPADHDHFHGBM-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498142; PubChem:CID138516132
|
Local ready
Direct docking supported
|
|
E3L020844
BDB020844
|
BDBM498143
C1=C(c2cnc(NCc3cccc4occc34)n3cnnc23)CCOC1
|
C19H17N5O2 347.378000 |
ZARPIZBYOGHWIT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498143; PubChem:CID138516093
|
Local ready
Direct docking supported
|
|
E3L020845
BDB020845
|
BDBM498144
CC(C)(C)OC(=O)N1CC=C(c2cnc(NCc3cccc4occc34)n3cnnc23)CC1
|
C24H26N6O3 446.511000 |
LSPMPWXPEAEVGD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498144; PubChem:CID155030888
|
Local ready
Direct docking supported
|
|
E3L020846
BDB020846
|
BDBM498145
CC(=O)N1CCC(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C17H20N6O2 340.387000 |
OXWVJBIVVWVCRX-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498145; PubChem:CID155064970
|
Local ready
Direct docking supported
|
|
E3L020847
BDB020847
|
BDBM498146
CS(=O)(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C20H23FN6O3S 446.508000 |
YKDXNDLHEXXOTC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498146; PubChem:CID138516129
|
Local ready
Direct docking supported
|
|
E3L020848
BDB020848
|
BDBM498147
CC1C=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1C(=O)OC(C)(C)C
|
C26H31FN6O3 494.571000 |
FWIROIUOYQYPCE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498147; PubChem:CID162369125
|
Local ready
Direct docking supported
|
|
E3L020849
BDB020849
|
BDBM498148
CC1C=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)O1
|
C21H22FN5O2 395.438000 |
DBGJHRRBVXYSJK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498148; PubChem:CID138516127
|
Local ready
Direct docking supported
|
|
E3L020850
BDB020850
|
BDBM498149
Fc1ccc2c(c1CNc1ncc(C3=CCOc4ccccc43)c3nncn13)CCO2
|
C23H18FN5O2 415.428000 |
QQZPDOLPTCRTTD-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498149; PubChem:CID138516130
|
Local ready
Direct docking supported
|
|
E3L020851
BDB020851
|
BDBM498150
O=S1(=O)CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C19H20FN5O3S 417.466000 |
JFNNNNPSWRAASJ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498150; PubChem:CID138516096
|
Local ready
Direct docking supported
|
|
E3L020852
BDB020852
|
BDBM498152
CN1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C20H21FN6O 380.427000 |
AWFUDKRHSVVXNQ-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498152; PubChem:CID138516069
|
Local ready
Direct docking supported
|
|
E3L020853
BDB020853
|
BDBM498153
CN1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C20H23FN6O 382.443000 |
MWRIGGWWHYYWPL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498153; PubChem:CID138516068
|
Local ready
Direct docking supported
|
|
E3L020854
BDB020854
|
BDBM498154
CC1(C)CC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)=CCO1
|
C21H22FN5O2 395.438000 |
JNJZSXUCASLSNL-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498154; PubChem:CID138515999
|
Local ready
Direct docking supported
|
|
E3L020855
BDB020855
|
BDBM498155
CCS(=O)(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C21H23FN6O3S 458.519000 |
WHIHSTWOZHKCMY-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498155; PubChem:CID138516345
|
Local ready
Direct docking supported
|
|
E3L020856
BDB020856
|
BDBM498156
O=S(=O)(C1CC1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H23FN6O3S 470.530000 |
CEYRQWJRJOGKRR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498156; PubChem:CID138516000
|
Local ready
Direct docking supported
|
|
E3L020857
BDB020857
|
BDBM498157
COC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C21H21FN6O3 424.436000 |
SHEHZRMEIPKJAT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498157; PubChem:CID138516368
|
Local ready
Direct docking supported
|
|
E3L020858
BDB020858
|
BDBM498158
CCOC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H23FN6O3 438.463000 |
CDQFTBVKAAGOCB-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498158; PubChem:CID138516001
|
Local ready
Direct docking supported
|
|
E3L020859
BDB020859
|
BDBM498159
CCC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C22H23FN6O2 422.464000 |
PYVBVDZJTUKBAK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498159; PubChem:CID138516171
|
Local ready
Direct docking supported
|
|
E3L020860
BDB020860
|
BDBM498160
O=C(C1CC1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C23H23FN6O2 434.475000 |
PGHXHERVUQFEHT-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498160; PubChem:CID138516102
|
Local ready
Direct docking supported
|