| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019061
BDB019061
|
US10676479, Example 31
N#Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C21H15FN6O 386.390000 |
ZXNDZMFCNRXLTK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451001; PubChem:CID139346249
|
Local ready
Direct docking supported
|
|
E3L019062
BDB019062
|
8-(6-(2-(dimethylamino)ethyl)pyridin-3-yl)-N-((5-
CN(C)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C24H25FN6O 432.503000 |
MOUJXTHVEKPDLC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451002; PubChem:CID139346173
|
Local ready
Direct docking supported
|
|
E3L019063
BDB019063
|
US10676479, Example 33
Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C19H17FN6O 364.384000 |
WXBPNUCUUXYSLM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451003; PubChem:CID139346254
|
Local ready
Direct docking supported
|
|
E3L019064
BDB019064
|
2-(5-(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
OCCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C22H20FN5O2 405.433000 |
QHENLGFWWQELIQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451004; PubChem:CID139346070
|
Local ready
Direct docking supported
|
|
E3L019065
BDB019065
|
US10676479, Example 35
Fc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccn1
|
C20H15F2N5O 379.370000 |
VVLYHQKMEVSGSR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451005; PubChem:CID139346314
|
Local ready
Direct docking supported
|
|
E3L019066
BDB019066
|
(4-(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
O=C(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1)N1CCCC1
|
C26H24FN5O2 457.509000 |
LEWTUNNIDWPJMR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451007; PubChem:CID139346171
|
Local ready
Direct docking supported
|
|
E3L019067
BDB019067
|
US10676479, Example 38
Cc1nc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C22H20FN5O3S 453.499000 |
KJQQIXDWFFOYEG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451008; PubChem:CID139346282
|
Local ready
Direct docking supported
|
|
E3L019068
BDB019068
|
US10676479, Example 39
Fc1ccc2c(c1CNc1ncc(-c3ccc(CN4CCCC4)cc3)c3cncn13)CCO2
|
C26H26FN5O 443.526000 |
YFKOXEHKCZNWRK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451009; PubChem:CID139346240
|
Local ready
Direct docking supported
|
|
E3L019069
BDB019069
|
US10676479, Example 40
CN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cn2)CC1
|
C25H26FN7O 459.529000 |
PTEACBPVIXPKRL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451010; PubChem:CID139346187
|
Local ready
Direct docking supported
|
|
E3L019070
BDB019070
|
8-(6-(dimethylamino)pyridin-3-yl)-N-((5-fluoro-
CN(C)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C22H21FN6O 404.449000 |
NYVIHODWEAKYML-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451011; PubChem:CID139346199
|
Local ready
Direct docking supported
|
|
E3L019071
BDB019071
|
US10676479, Example 42
Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C23H21FN4O3S 452.511000 |
IOLOBJVPODMXCY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451012; PubChem:CID139346226
|
Local ready
Direct docking supported
|
|
E3L019072
BDB019072
|
US10676479, Example 43
Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)c(C)n1
|
C22H20FN5O 389.434000 |
MGFRBVQSWCIXFN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451013; PubChem:CID139346312
|
Local ready
Direct docking supported
|
|
E3L019073
BDB019073
|
2-((5-(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
OCCNc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C21H20FN7O2 421.436000 |
COBFBIJDKDVSHH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451014; PubChem:CID139346160
|
Local ready
Direct docking supported
|
|
E3L019074
BDB019074
|
US10676479, Example 45
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)n(C)n1
|
C20H19FN6O 378.411000 |
YPAYDYPYAASGSV-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451015; PubChem:CID139346170
|
Local ready
Direct docking supported
|
|
E3L019075
BDB019075
|
US10676479, Example 46
Cc1nn(C)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C21H21FN6O 392.438000 |
PSEJQRPWNPCSRG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451016; PubChem:CID139346200
|
Local ready
Direct docking supported
|
|
E3L019076
BDB019076
|
US10676479, Example 47
Cc1ncncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C20H17FN6O 376.395000 |
KARBWWDFFRFWHY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451017; PubChem:CID139346157
|
Local ready
Direct docking supported
|
|
E3L019077
BDB019077
|
US10676479, Example 48
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccc1S(C)(=O)=O
|
C23H21FN4O3S 452.511000 |
CGILJVPHUVXAHB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451018; PubChem:CID139346267
|
Local ready
Direct docking supported
|
|
E3L019078
BDB019078
|
2-(4-(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
Cc1nn(CCO)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
|
C22H23FN6O2 422.464000 |
JAFSAJQTBBSUPY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451019; PubChem:CID139346077
|
Local ready
Direct docking supported
|
|
E3L019079
BDB019079
|
US10676479, Example 50
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
|
C20H17FN6O 376.395000 |
HASJTQLTNDGCIU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451020; PubChem:CID139346313
|
Local ready
Direct docking supported
|
|
E3L019080
BDB019080
|
8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-
Fc1ccc2c(c1CNc1ncc(-c3cccnc3C(F)F)c3cncn13)CCO2
|
C21H16F3N5O 411.387000 |
LOXNXGMKASZRPN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451021; PubChem:CID139346276
|
Local ready
Direct docking supported
|