| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026341
BDB026341
|
BDBM553953
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3)CC2)c(Cl)n1
|
C21H20ClF3N6O2 480.878000 |
HXZQLKNAMYZLGJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553953; PubChem:CID155586891
|
Local ready
Direct docking supported
|
|
E3L026342
BDB026342
|
BDBM553954
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3)CC2)c(F)n1
|
C21H20F4N6O2 464.423000 |
CVXHZGQJAJHFKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553954; PubChem:CID155586945
|
Local ready
Direct docking supported
|
|
E3L026343
BDB026343
|
BDBM553955
CCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
KSDHEUHZIMFECS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553955; PubChem:CID155586919
|
Local ready
Direct docking supported
|
|
E3L026344
BDB026344
|
BDBM553956
CCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O
|
C23H27ClN6O2 454.962000 |
KUYGKUAUGUXDSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553956; PubChem:CID155586996
|
Local ready
Direct docking supported
|
|
E3L026345
BDB026345
|
BDBM553957
CCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
|
C23H27FN6O2 438.507000 |
LSPCQJFPAKKJJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553957; PubChem:CID155586939
|
Local ready
Direct docking supported
|
|
E3L026346
BDB026346
|
BDBM553958
CCc1nc2cc(F)c(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O
|
C22H24F2N6O2 442.470000 |
IFNSAFCTKBEYAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553958; PubChem:CID155586976
|
Local ready
Direct docking supported
|
|
E3L026347
BDB026347
|
BDBM553959
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(C)(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C22H24F2N6O2 442.470000 |
FHXVYSAVWVGYSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553959; PubChem:CID155587001
|
Local ready
Direct docking supported
|
|
E3L026348
BDB026348
|
BDBM553960
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C22H24F2N6O2 442.470000 |
GEWVKKFPLYRKPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553960; PubChem:CID155586977
|
Local ready
Direct docking supported
|
|
E3L026349
BDB026349
|
BDBM553961
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)F)c(=O)[nH]c4c3)CC2)c(F)n1
|
C22H23F3N6O2 460.460000 |
CXVDSOCPPOWBQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553961; PubChem:CID155586906
|
Local ready
Direct docking supported
|
|
E3L026350
BDB026350
|
US11325906, Example 25
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CCF)c(=O)[nH]c4c3)CC2)cn1
|
C22H25FN6O2 424.480000 |
IJAODHMIIARWJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553962; PubChem:CID155586982
|
Local ready
Direct docking supported
|
|
E3L026351
BDB026351
|
BDBM553963
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CCF)c(=O)[nH]c4c3)CC2)c(F)n1
|
C22H24F2N6O2 442.470000 |
SUZKBBJSZAJIDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553963; PubChem:CID155586914
|
Local ready
Direct docking supported
|
|
E3L026352
BDB026352
|
BDBM553964
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C22H23F3N6O2 460.460000 |
GWWKGCCMZJXPIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553964; PubChem:CID155586953
|
Local ready
Direct docking supported
|
|
E3L026353
BDB026353
|
BDBM553965
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)(F)F)c(=O)[nH]c4c3)CC2)c(F)n1
|
C22H22F4N6O2 478.450000 |
WAUNVLNNRBPDOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553965; PubChem:CID155586991
|
Local ready
Direct docking supported
|
|
E3L026354
BDB026354
|
BDBM553966
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2[nH]c1=O
|
C23H26F2N6O2 456.497000 |
WNLGJCPXVYHHOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553966; PubChem:CID155586924
|
Local ready
Direct docking supported
|
|
E3L026355
BDB026355
|
BDBM553967
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2[nH]c1=O
|
C23H25F3N6O2 474.487000 |
OTUOUNZQEMLCAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553967; PubChem:CID155586883
|
Local ready
Direct docking supported
|
|
E3L026356
BDB026356
|
BDBM553968
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
ASYDNUFBIFZLIS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553968; PubChem:CID155586951
|
Local ready
Direct docking supported
|
|
E3L026357
BDB026357
|
BDBM553969
CCNC(=O)c1ccc(N2CCN(Cc3cnc4cc(CC)c(=O)[nH]c4c3)CC2)cn1
|
C23H28N6O2 420.517000 |
FLTBYCHMVYQZBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM553969; PubChem:CID155586990
|
Local ready
Direct docking supported
|
|
E3L026358
BDB026358
|
US11325921, Example 1
O=C([C@H]1N[C@H]2CC[C@@H]1[C@@H](F)C2)N1CC2(C1)CN(c1c(C(F)(F)F)cnc3sc(CC(F)(F)F)cc13)C2
|
C23H23F7N4OS 536.517000 |
VZVGYBWZKFBJTE-LPOXYFBYSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM554059; PubChem:CID152223721
|
Local ready
Direct docking supported
|
|
E3L026359
BDB026359
|
US11325921, Example 2
O=C([C@H]1N[C@H]2C[C@@H]1[C@@H](F)C2)N1CC2(C1)CN(c1c(C(F)(F)F)cnc3sc(CC(F)(F)F)cc13)C2
|
C22H21F7N4OS 522.490000 |
WYYACVUBSSTLHB-VVBGDLBDSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM554111; PubChem:CID152348638
|
Local ready
Direct docking supported
|
|
E3L026360
BDB026360
|
BDBM554112
O=C([C@H]1N[C@H]2CC[C@@H]1CC2)N1CC2(C1)CN(c1c(C(F)(F)F)cnc3sc(CC(F)(F)F)cc13)C2
|
C23H24F6N4OS 518.527000 |
GVUFUZRLWIDDCW-AHIWAGSCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM554112
|
Local ready
Direct docking supported
|