| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036161
BDB036161
|
BDBM725767
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(F)(F)C4)CC2)C1)C(C)C
|
C34H45F3N6O3 642.767000 |
WSRYBUKYTTUTOR-CZDZLMJVSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725767
|
Local ready
Direct docking supported
|
|
E3L036162
BDB036162
|
BDBM725768
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@@H](C(C)(C)O)C4)CC2)C1)C(C)C
|
C36H51FN6O4 650.840000 |
JDRVFCKYBYIWSH-KNGBFLLCSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725768
|
Local ready
Direct docking supported
|
|
E3L036163
BDB036163
|
BDBM725769
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](C(C)(C)O)C4)CC2)C1)C(C)C
|
C36H51FN6O4 650.840000 |
JDRVFCKYBYIWSH-RQDKSTKUSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725769
|
Local ready
Direct docking supported
|
|
E3L036164
BDB036164
|
BDBM725770
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C(C)(C)O)C4)CC2)C1)C(C)C
|
C37H53FN6O4 664.867000 |
UAZWKKAVUBRWFY-XAEXNWHRSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725770
|
Local ready
Direct docking supported
|
|
E3L036165
BDB036165
|
BDBM725771
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@@H](C(C)(C)O)C4)CC2)C1)C(C)C
|
C37H53FN6O4 664.867000 |
UAZWKKAVUBRWFY-QTJFSSSWSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725771
|
Local ready
Direct docking supported
|
|
E3L036166
BDB036166
|
BDBM725772
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](C(C)(C)O)C4)CC2)C1)C(C)C
|
C37H53FN6O4 664.867000 |
UAZWKKAVUBRWFY-UDUUFVARSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725772
|
Local ready
Direct docking supported
|
|
E3L036167
BDB036167
|
BDBM725773
CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(=C(C)C)C4)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
YKPOVXJQYHWFPM-QFVVIJIBSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725773
|
Local ready
Direct docking supported
|
|
E3L036168
BDB036168
|
BDBM725774
CC(C)=C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O
|
C37H51FN6O3 646.852000 |
SPKXVURUVGZZTQ-DWUBRUHCSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725774
|
Local ready
Direct docking supported
|
|
E3L036169
BDB036169
|
BDBM725775
CC(C)=C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O
|
C37H51FN6O3 646.852000 |
SPKXVURUVGZZTQ-DWUBRUHCSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725775
|
Local ready
Direct docking supported
|
|
E3L036170
BDB036170
|
BDBM725776
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@]4(CC3)CC(CO)(CO)C(=O)N4)CC2)C1)C(C)C
|
C35H50FN7O5 667.827000 |
SEEVQXRTXNOYRU-YHWSXCGTSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725776
|
Local ready
Direct docking supported
|
|
E3L036171
BDB036171
|
BDBM725777
CC(C)c1ncncc1-c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1
|
C34H42FN7O2 599.755000 |
BOBNWNPJZSXJKO-KFUJTCAESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM725777
|
Local ready
Direct docking supported
|
|
E3L036172
BDB036172
|
US20250082630, Example 1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(F)n1
|
C22H25FN6O2 424.480000 |
IVILHJJZBQECDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726496; PubChem:CID162524568
|
Local ready
Direct docking supported
|
|
E3L036173
BDB036173
|
US20250082630, Example 2
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(C)=N4)CC2)cn1
|
C23H27N5O2 405.502000 |
SMXWAJUEVBPFSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726497; PubChem:CID163766476
|
Local ready
Direct docking supported
|
|
E3L036174
BDB036174
|
US20250082630, Example 3
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(Cl)n1
|
C22H25ClN6O2 440.935000 |
CZRFCLLYCKTTHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726498; PubChem:CID162524577
|
Local ready
Direct docking supported
|
|
E3L036175
BDB036175
|
US20250082630, Example 4
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(C)n1
|
C23H28N6O2 420.517000 |
STGKVKIQXWOWGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726499; PubChem:CID162524441
|
Local ready
Direct docking supported
|
|
E3L036176
BDB036176
|
US20250082630, Example 5
CC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4F)CC3)c(C)c2CC1=O
|
C22H24FN5O2 409.465000 |
DBZRWJGTVUHJEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726500; PubChem:CID164040262
|
Local ready
Direct docking supported
|
|
E3L036177
BDB036177
|
US20250082630, Example 6
CC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2CC1=O
|
C22H24FN5O2 409.465000 |
GTTUNDZFPRRXLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726501; PubChem:CID163655674
|
Local ready
Direct docking supported
|
|
E3L036178
BDB036178
|
US20250082630, Example 7
CC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(C)c2CC1=O
|
C23H27N5O2 405.502000 |
XKCSKSQFCOFDCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726502; PubChem:CID163591229
|
Local ready
Direct docking supported
|
|
E3L036179
BDB036179
|
US20250082630, Example 8
CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)c(Cl)c2CC1=O
|
C23H25Cl2N5O2 474.392000 |
BBZFZQCABMRZBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726503; PubChem:CID164089428
|
Local ready
Direct docking supported
|
|
E3L036180
BDB036180
|
US20250082630, Example 9
CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(Cl)c2CC1=O
|
C23H25ClFN5O2 457.937000 |
PIYNNHJDDQYGHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726504; PubChem:CID163844158
|
Local ready
Direct docking supported
|