| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019081
BDB019081
|
8-(4-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-
Fc1ccc2c(c1CNc1ncc(-c3cnccc3C(F)F)c3cncn13)CCO2
|
C21H16F3N5O 411.387000 |
VMZXSOBKAQBAKX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451022; PubChem:CID139346245
|
Local ready
Direct docking supported
|
|
E3L019082
BDB019082
|
US10676479, Example 53
Cc1nn(C(C)C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C22H23FN6O 406.465000 |
YMXIFPGPERBULN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451023; PubChem:CID139346210
|
Local ready
Direct docking supported
|
|
E3L019083
BDB019083
|
US10676479, Example 54
Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C24H23FN6O2 446.486000 |
WCLXXEDRKCRHDV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451024; PubChem:CID139346063
|
Local ready
Direct docking supported
|
|
E3L019084
BDB019084
|
8-(4-(azetidin-1-ylmethyl)phenyl)-N-((5-fluoro-
Fc1ccc2c(c1CNc1ncc(-c3ccc(CN4CCC4)cc3)c3cncn13)CCO2
|
C25H24FN5O 429.499000 |
JLQBPFPXOAPVDD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451025; PubChem:CID139346158
|
Local ready
Direct docking supported
|
|
E3L019085
BDB019085
|
US10676479, Example 56
Cc1nc(C(F)(F)CO)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C23H20F3N5O2 455.440000 |
AYICMEKSRPCURW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451026; PubChem:CID139346190
|
Local ready
Direct docking supported
|
|
E3L019086
BDB019086
|
8-(6-(difluoromethyl)-2-methylpyridin-3-yl)-N-((5-
Cc1nc(C(F)F)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C22H18F3N5O 425.414000 |
FSWCLCIVYVNCKT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451027; PubChem:CID139346194
|
Local ready
Direct docking supported
|
|
E3L019087
BDB019087
|
US10676479, Example 58
Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccnc1CF
|
C22H19F2N5O 407.424000 |
RSNPTTSTVMVPKM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451028; PubChem:CID139346256
|
Local ready
Direct docking supported
|
|
E3L019088
BDB019088
|
US10676479, Example 59
Cc1nc(C(F)(F)CN2CCCC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C27H27F3N6O 508.548000 |
NPAKNAXWVZRKLD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451029; PubChem:CID139346174
|
Local ready
Direct docking supported
|
|
E3L019089
BDB019089
|
8-(6-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-
Fc1ccc2c(c1CNc1ncc(-c3ccc(C(F)F)nc3)c3cncn13)CCO2
|
C21H16F3N5O 411.387000 |
LKDJPLWWFCYONP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451030; PubChem:CID139346058
|
Local ready
Direct docking supported
|
|
E3L019090
BDB019090
|
US10676479, Example 61
Cc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C23H23FN6O2 434.475000 |
PNIIDCZZRYMAJZ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451031; PubChem:CID139346213
|
Local ready
Direct docking supported
|
|
E3L019091
BDB019091
|
US10676479, Example 62
Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C19H17FN6O 364.384000 |
NOTLWQUGYNQKIM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451032; PubChem:CID139346184
|
Local ready
Direct docking supported
|
|
E3L019092
BDB019092
|
US10676479, Example 63
Cc1nc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C24H23FN6O2 446.486000 |
YADOWFCNQMVLFN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451033; PubChem:CID139346067
|
Local ready
Direct docking supported
|
|
E3L019093
BDB019093
|
N-(benzofuran-4-ylmethyl)-8-(4-
CN(C)Cc1ccc(-c2cnc(NCc3cccc4occc34)n3cncc23)cc1
|
C24H23N5O 397.482000 |
GHWBERCUHJFHPC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451034; PubChem:CID139346257
|
Local ready
Direct docking supported
|
|
E3L019094
BDB019094
|
N-(benzofuran-4-ylmethyl)-8-(pyridin-4-
c1cc(CNc2ncc(-c3ccncc3)c3cncn23)c2ccoc2c1
|
C20H15N5O 341.374000 |
AFDUMQRCRAAAQS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451035; PubChem:CID139346177
|
Local ready
Direct docking supported
|
|
E3L019095
BDB019095
|
N-(benzofuran-4-ylmethyl)-8-(6-(piperazin-1-
c1cc(CNc2ncc(-c3ccc(N4CCNCC4)nc3)c3cncn23)c2ccoc2c1
|
C24H23N7O 425.496000 |
IVOFNUACKQVXGT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451036; PubChem:CID139346258
|
Local ready
Direct docking supported
|
|
E3L019096
BDB019096
|
US10676479, Example 67
CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4occc34)n3cncc23)cc1
|
C24H22FN5O 415.472000 |
WAOBTVNWIQCCDO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451037; PubChem:CID139346297
|
Local ready
Direct docking supported
|
|
E3L019097
BDB019097
|
8-(4-((dimethylamino)methyl)phenyl)-N-(2-fluoro-
COc1cccc(F)c1CNc1ncc(-c2ccc(CN(C)C)cc2)c2cncn12
|
C23H24FN5O 405.477000 |
RNSWYJXDGLPNBN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451038; PubChem:CID139346296
|
Local ready
Direct docking supported
|
|
E3L019098
BDB019098
|
8-Bromo-5-(((5-fluoro-2,3-dihydrobenzofuran-4-
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c12
|
C16H11BrFN5O 388.200000 |
SXSWUVJZNOWFAD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451040; PubChem:CID132257085
|
Local ready
Direct docking supported
|
|
E3L019099
BDB019099
|
US10676479, Example 71
N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4)cc3)c12
|
C27H25FN6O 468.536000 |
SRAFJKJXDXYIOD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451041; PubChem:CID139346329
|
Local ready
Direct docking supported
|
|
E3L019100
BDB019100
|
US10676479, Example 72
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)cn1
|
C22H17FN6O 400.417000 |
MQNLWRHIHGURGU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451042; PubChem:CID139346319
|
Local ready
Direct docking supported
|