| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036101
BDB036101
|
US20250074910, Example 13-1b
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@@H]3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-MAXHONEJSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725707; PubChem:CID176456276
|
Local ready
Direct docking supported
|
|
E3L036102
BDB036102
|
US20250074910, Example 13-2a
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-UNKRMOESSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725708; PubChem:CID176456277
|
Local ready
Direct docking supported
|
|
E3L036103
BDB036103
|
US20250074910, Example 13-2b
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@@H]3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C37H50FN5O3 631.837000 |
FMUNKTNFINIVHW-UTFDEPBJSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725709; PubChem:CID176456278
|
Local ready
Direct docking supported
|
|
E3L036104
BDB036104
|
US20250074910, Example 14-1
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C35H47FN6O3 618.798000 |
XQILKJVGUGHCMV-CIDHCYHYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725710; PubChem:CID176456279
|
Local ready
Direct docking supported
|
|
E3L036105
BDB036105
|
US20250074910, Example 14-1a
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C35H47FN6O3 618.798000 |
XQILKJVGUGHCMV-YOIVSZLLSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725711; PubChem:CID176456280
|
Local ready
Direct docking supported
|
|
E3L036106
BDB036106
|
US20250074910, Example 15-1
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
QWVXXZMTHVMLIN-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725712; PubChem:CID176456281
|
Local ready
Direct docking supported
|
|
E3L036107
BDB036107
|
US20250074910, Example 15-1a
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
QWVXXZMTHVMLIN-TZNMGBFISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725713; PubChem:CID176456282
|
Local ready
Direct docking supported
|
|
E3L036108
BDB036108
|
US20250074910, Example 15-1b
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
QWVXXZMTHVMLIN-AIXKKLOWSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725714; PubChem:CID176456283
|
Local ready
Direct docking supported
|
|
E3L036109
BDB036109
|
US20250074910, Example 16-2
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C1CC1
|
C36H47FN6O3 630.809000 |
PYYZJMLZLOBWLV-WGQYCQMISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM725715; PubChem:CID176456284
|
Local ready
Direct docking supported
|
|
E3L036110
BDB036110
|
BDBM725716
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(COC)(COC)C4)CC2)C1)C(C)C
|
C38H54FN5O5 679.878000 |
BNULHIXIQDKZQQ-KJJHEHLZSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725716
|
Local ready
Direct docking supported
|
|
E3L036111
BDB036111
|
BDBM725717
COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O
|
C39H56FN5O5 693.905000 |
SGCPKRMSTXZQDF-NJFIHASCSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725717
|
Local ready
Direct docking supported
|
|
E3L036112
BDB036112
|
BDBM725718
COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O
|
C39H56FN5O5 693.905000 |
SGCPKRMSTXZQDF-NJFIHASCSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725718
|
Local ready
Direct docking supported
|
|
E3L036113
BDB036113
|
BDBM725719
COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)NC1=O
|
C37H54FN7O5 695.881000 |
IBQAQNLTFHHTBN-YTTSPEFISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725719
|
Local ready
Direct docking supported
|
|
E3L036114
BDB036114
|
BDBM725720
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C
|
C36H50FN5O3 619.826000 |
JYMXBWKKFPPTTQ-PDJULDNZSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725720
|
Local ready
Direct docking supported
|
|
E3L036115
BDB036115
|
BDBM725721
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C
|
C37H52FN5O3 633.853000 |
SVAZUQYQGBSIOV-ZDPOTYIJSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725721
|
Local ready
Direct docking supported
|
|
E3L036116
BDB036116
|
BDBM725722
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C
|
C37H52FN5O3 633.853000 |
SVAZUQYQGBSIOV-ZDPOTYIJSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725722
|
Local ready
Direct docking supported
|
|
E3L036117
BDB036117
|
BDBM725723
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CCC1
|
C38H52FN5O3 645.864000 |
JXFSLEAMSGGVAS-LPTSBRAISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725723
|
Local ready
Direct docking supported
|
|
E3L036118
BDB036118
|
BDBM725724
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CCC1
|
C38H52FN5O3 645.864000 |
JXFSLEAMSGGVAS-LPTSBRAISA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725724
|
Local ready
Direct docking supported
|
|
E3L036119
BDB036119
|
BDBM725725
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C
|
C36H51FN6O3 634.841000 |
NYYDKPFAULEZFI-PDJULDNZSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725725
|
Local ready
Direct docking supported
|
|
E3L036120
BDB036120
|
BDBM725726
CC(C)N(C)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1
|
C34H47FN6O3 606.787000 |
OBHXDJQUZCSCFD-VCCCEUOBSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725726
|
Local ready
Direct docking supported
|