| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041341
BDB041341
|
US12421228, Example 57
COc1ncnc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c12
|
C22H21FN6O2 420.448000 |
BSADBCJLAGZTDC-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773584; PubChem:CID155235179
|
Local ready
Direct docking supported
|
|
E3L041342
BDB041342
|
US12421228, Example 58
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3nc[nH]c(=O)c23)n(C)n1
|
C21H19FN6O2 406.421000 |
SKKFMKMGGHBDHW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773585; PubChem:CID155235119
|
Local ready
Direct docking supported
|
|
E3L041343
BDB041343
|
US12421228, Example 59
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3ncncc23)n(C)n1
|
C21H19FN6O 390.422000 |
KIDZFZABDKWBBE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773586; PubChem:CID155235306
|
Local ready
Direct docking supported
|
|
E3L041344
BDB041344
|
US12421228, Example 41
Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12
|
C27H27FN4O2 458.537000 |
NNEJYXJZTXPBFS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM773587; PubChem:CID155240000
|
Local ready
Direct docking supported
|
|
E3L041345
BDB041345
|
BDBM773588
CNC(=O)c1ccc2c(n1)OC[C@H]1CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CCN21
|
C22H23FN6O3 438.463000 |
IJFSYQAZRLAUDE-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773588; PubChem:CID166138956
|
Local ready
Direct docking supported
|
|
E3L041346
BDB041346
|
BDBM773589
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cccnc54)c3F)CC2)c(F)n1
|
C24H22F2N6O2 464.476000 |
MSCVTQGDKKLHGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773589; PubChem:CID177274279
|
Local ready
Direct docking supported
|
|
E3L041347
BDB041347
|
BDBM773590
CNC(=O)c1ccc2c(n1)CC[C@H]1CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CCN21
|
C23H25FN6O2 436.491000 |
BEOQSFOKOQTIHO-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773590; PubChem:CID177274307
|
Local ready
Direct docking supported
|
|
E3L041348
BDB041348
|
BDBM773591
CNC(=O)c1ccc2c(n1)CC[C@H]1CN(Cc3c(F)cc4nc(C)c(=O)[nH]c4c3F)CCN21
|
C23H24F2N6O2 454.481000 |
KSWQSBBBBOXGBO-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773591; PubChem:CID177274349
|
Local ready
Direct docking supported
|
|
E3L041349
BDB041349
|
BDBM773592
CNC(=O)c1ccc2c(n1)CC[C@H]1CN(Cc3c(F)c(F)c4nc(C)c(=O)[nH]c4c3F)CCN21
|
C23H23F3N6O2 472.471000 |
KKDVPQKHTLAYHI-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773592; PubChem:CID177274329
|
Local ready
Direct docking supported
|
|
E3L041350
BDB041350
|
BDBM773593
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C21H21F3N6O2 446.433000 |
BYYFNOFVKJDUIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773593; PubChem:CID169110521
|
Local ready
Direct docking supported
|
|
E3L041351
BDB041351
|
BDBM773594
[2H]C([2H])([2H])CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cccnc3-4)CC2)c(F)n1
|
C26H24F2N4O2 465.518305 |
HREDOJJOQVYFLI-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773594; PubChem:CID177859237
|
Local ready
Direct docking supported
|
|
E3L041352
BDB041352
|
BDBM773595
[2H]C([2H])([2H])NC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3F)CC(=O)c3cccnc3-4)CC2)c(F)n1
|
C26H22F2N4O2 463.502305 |
ASIIIRGVACUDNM-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773595; PubChem:CID177859238
|
Local ready
Direct docking supported
|
|
E3L041353
BDB041353
|
BDBM773596
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cccnc3-4)CC2)c(Cl)n1
|
C25H23ClFN5O2 479.943000 |
SRQLFIFEAGMCEL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773596; PubChem:CID177859239
|
Local ready
Direct docking supported
|
|
E3L041354
BDB041354
|
BDBM773597
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cc(F)cnc3-4)CC2)c(F)n1
|
C25H22F3N5O2 481.478000 |
VTFPXKYQAFPTQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773597; PubChem:CID177859240
|
Local ready
Direct docking supported
|
|
E3L041355
BDB041355
|
BDBM773598
[2H]C([2H])(c1ccc2c(c1F)CC(=O)c1cccnc1-2)N1CCN(c2ccc(C(=O)NC)nc2F)CC1
|
C25H23F2N5O2 465.500204 |
IPZGKRXJOYMDKP-FNHLFAINSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773598; PubChem:CID177859241
|
Local ready
Direct docking supported
|
|
E3L041356
BDB041356
|
BDBM773599
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cccnc3-4)CC2)c(Cl)n1
|
C25H23ClFN5O2 482.961305 |
SRQLFIFEAGMCEL-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773599; PubChem:CID177859242
|
Local ready
Direct docking supported
|
|
E3L041357
BDB041357
|
BDBM773600
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cc(F)cnc3-4)CC2)c(Cl)n1
|
C25H22ClF2N5O2 497.933000 |
FUMVMXIPJYEDHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773600; PubChem:CID177859243
|
Local ready
Direct docking supported
|
|
E3L041358
BDB041358
|
BDBM773601
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cc(F)cnc3-4)CC2)c(F)n1
|
C25H22F3N5O2 484.496305 |
VTFPXKYQAFPTQF-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773601; PubChem:CID177859244
|
Local ready
Direct docking supported
|
|
E3L041359
BDB041359
|
BDBM773602
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)c3cc(F)cnc3-4)CC2)c(Cl)n1
|
C25H22ClF2N5O2 500.951305 |
FUMVMXIPJYEDHE-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773602; PubChem:CID177859245
|
Local ready
Direct docking supported
|
|
E3L041360
BDB041360
|
BDBM773603
[2H]C([2H])(c1ccc2c(c1F)CC(=O)c1cc(F)cnc1-2)N1CCN(c2ccc(C(=O)NC)nc2F)CC1
|
C25H22F3N5O2 483.490204 |
VTFPXKYQAFPTQF-KLTYLHELSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM773603; PubChem:CID177859246
|
Local ready
Direct docking supported
|