| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019121
BDB019121
|
Ethyl 8-(2,6-dimethylpyridin-3-yl)-5-(((5-fluoro-
CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C)nc3C)c12
|
C25H24FN5O3 461.497000 |
MJSHEKQQEQBILQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451063; PubChem:CID139346206
|
Local ready
Direct docking supported
|
|
E3L019122
BDB019122
|
Ethyl 8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-
CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)nc3C)c12
|
C24H23FN6O3 462.485000 |
RRBVSADYEIGTME-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451064; PubChem:CID139346153
|
Local ready
Direct docking supported
|
|
E3L019123
BDB019123
|
US10676479, Example 95
CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c12
|
C24H22FN5O3 447.470000 |
DAAVUJYBTSEGIM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451065; PubChem:CID139346167
|
Local ready
Direct docking supported
|
|
E3L019124
BDB019124
|
US10676479, Example 96
CCOC(=O)c1ncn2c(NCc3cc(OC)c(F)cc3F)ncc(-c3cccnc3C)c12
|
C23H21F2N5O3 453.449000 |
ZKLXNTYDMFWIGN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451066; PubChem:CID139346186
|
Local ready
Direct docking supported
|
|
E3L019125
BDB019125
|
US10676479, Example 97
CCOC(=O)c1ncn2c(NCc3cc(OC)c(F)cc3F)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c12
|
C25H25F2N5O5S 545.568000 |
CSEFBXLXZJKRMF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451067; PubChem:CID139346189
|
Local ready
Direct docking supported
|
|
E3L019126
BDB019126
|
Ethyl 8-(2,4-dimethylpyrimidin-5-yl)-5-((2-fluoro-
CCOC(=O)c1ncn2c(NCc3c(F)cccc3OC)ncc(-c3cnc(C)nc3C)c12
|
C23H23FN6O3 450.474000 |
MYEWLWXCQLGFPC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451068; PubChem:CID139346255
|
Local ready
Direct docking supported
|
|
E3L019127
BDB019127
|
Ethyl 5-((2-fluoro-6-methoxybenzyl)amino)-8-(2-
CCOC(=O)c1ncn2c(NCc3c(F)cccc3OC)ncc(-c3cccnc3C)c12
|
C23H22FN5O3 435.459000 |
QYRDDWOUVQBZGU-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451069; PubChem:CID139346221
|
Local ready
Direct docking supported
|
|
E3L019128
BDB019128
|
US10676479, Example 100
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)cc1
|
C23H21FN4O5S2 516.576000 |
JOAXXJJQMAVHPP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM451070; PubChem:CID139346201
|
Local ready
Direct docking supported
|
|
E3L019129
BDB019129
|
US10676479, Example 101
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)c(C)n1
|
C22H21FN6O3S 468.514000 |
FFLHPNPBWYCDDP-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451071; PubChem:CID139346294
|
Local ready
Direct docking supported
|
|
E3L019130
BDB019130
|
US10676479, Example 102
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3)c12
|
C21H18FN5O3S 439.472000 |
XTSFOJUTHMPCOC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451072; PubChem:CID139346263
|
Local ready
Direct docking supported
|
|
E3L019131
BDB019131
|
8-bromo-N-((5-fluoro-2,3-dihydrobenzofuran-4-
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c12
|
C16H14BrFN4O3S 441.282000 |
SSUSQQSGMUELGD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451073; PubChem:CID139346220
|
Local ready
Direct docking supported
|
|
E3L019132
BDB019132
|
8-(2,4-Dimethylpyrimidin-5-yl)-1-(ethylsulfonyl)-
CCS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)nc3C)c12
|
C23H23FN6O3S 482.541000 |
WJGTVLNQOSQGAG-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451074; PubChem:CID139346204
|
Local ready
Direct docking supported
|
|
E3L019133
BDB019133
|
US10676479, Example 105
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)N(C)C)c12
|
C24H23FN6O2 446.486000 |
BUSOJUMONRENJH-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451075; PubChem:CID139346224
|
Local ready
Direct docking supported
|
|
E3L019134
BDB019134
|
US10676479, Example 106
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NC3COC3)c12
|
C25H23FN6O3 474.496000 |
WLGNJTZQLMKULW-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451076; PubChem:CID139346178
|
Local ready
Direct docking supported
|
|
E3L019135
BDB019135
|
US10676479, Example 107
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NCCO)c12
|
C24H23FN6O3 462.485000 |
LUPMMWSBCIYWFQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451077; PubChem:CID139346209
|
Local ready
Direct docking supported
|
|
E3L019136
BDB019136
|
US10676479, Example 108
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NN)c12
|
C22H20FN7O2 433.447000 |
PFWIHYCYPWGTKC-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451078; PubChem:CID139346163
|
Local ready
Direct docking supported
|
|
E3L019137
BDB019137
|
1-chloro-N-((5-fluoro-2,3-dihydrobenzofuran-4-
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(Cl)c23)cc1
|
C22H18ClFN4O3S 472.929000 |
ACGUFQYGRFKZGD-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451079; PubChem:CID139346183
|
Local ready
Direct docking supported
|
|
E3L019138
BDB019138
|
US10676479, Example 110
CS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(-c4ccccc4)c23)cc1
|
C28H23FN4O3S 514.582000 |
BCGJBYDNWMTYIL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451080; PubChem:CID139346218
|
Local ready
Direct docking supported
|
|
E3L019139
BDB019139
|
US10676479, Example 111
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(-c3ccccc3)c12
|
C27H22FN5O 451.505000 |
PTZXAXMZIQNTIK-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451081; PubChem:CID139346212
|
Local ready
Direct docking supported
|
|
E3L019140
BDB019140
|
US10676479, Example 112
Cc1ncccc1-c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3)c12
|
C28H24FN5O3S 529.597000 |
FKBKWMPYFFCAHA-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM451082; PubChem:CID139346151
|
Local ready
Direct docking supported
|