| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035921
BDB035921
|
US20250051324, Example 14
CNC(=O)c1ccc(C2=CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
|
C24H23F3N4O2 456.468000 |
GBLMKEGSKITKAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720216; PubChem:CID175681739
|
Local ready
Direct docking supported
|
|
E3L035922
BDB035922
|
US20250051324, Example 15
CC1=C(C(F)(F)F)C(=O)Cc2cc(CN3CCN(c4cc5c(cn4)C(=O)NC5)CC3)cnc21
|
C23H22F3N5O2 457.456000 |
VBSXKOGFEBOPCZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720217; PubChem:CID175681740
|
Local ready
Direct docking supported
|
|
E3L035923
BDB035923
|
US20250051324, Example 18
CC1=C(C(F)(F)F)C(=O)Cc2cc(CN3CCN(c4ccc5c(n4)CC(=O)N5)CC3)cnc21
|
C23H22F3N5O2 457.456000 |
KTWKIGMSLVSYSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720218; PubChem:CID175681741
|
Local ready
Direct docking supported
|
|
E3L035924
BDB035924
|
US20250051324, Example 19
CC1=C(C(F)(F)F)C(=O)Cc2cc(CN3CCN(c4ncc(C(F)(F)F)cn4)CC3)cnc21
|
C21H19F6N5O 471.405000 |
GCKHBHYUPAEGLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720219; PubChem:CID175681742
|
Local ready
Direct docking supported
|
|
E3L035925
BDB035925
|
US20250051324, Example 20
CC1=C(C(F)(F)F)C(=O)Cc2cc(CN3CCN(c4ccc(C#N)cn4)CC3)cnc21
|
C22H20F3N5O 427.430000 |
VAOSPAAWVHKOHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720220; PubChem:CID175681743
|
Local ready
Direct docking supported
|
|
E3L035926
BDB035926
|
US20250051324, Example 52
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)[C@@H](C)C2)cn1
|
C24H26F3N5O2 473.499000 |
BYRSMXQNHWADRE-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720221; PubChem:CID175681744
|
Local ready
Direct docking supported
|
|
E3L035927
BDB035927
|
US20250051324, Example 54
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C[C@H]2C)cn1
|
C24H26F3N5O2 473.499000 |
COFWMMMCLUXKJJ-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720222; PubChem:CID175681745
|
Local ready
Direct docking supported
|
|
E3L035928
BDB035928
|
US20250051324, Example 87
CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)[C@H](C)C2)cn1
|
C24H26F3N5O2 473.499000 |
WKWSLGAPOYCTKC-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720223; PubChem:CID175681746
|
Local ready
Direct docking supported
|
|
E3L035929
BDB035929
|
US20250051324, Example 88
CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)C[C@H]2C)cn1
|
C24H26F3N5O2 473.499000 |
SOOIWXOVXKQWIQ-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720224; PubChem:CID175681747
|
Local ready
Direct docking supported
|
|
E3L035930
BDB035930
|
US20250051324, Example 89
CNC(=O)c1ccc(C2=CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1
|
C24H23F3N4O2 456.468000 |
ABYCTZWMVUEPFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720225; PubChem:CID175681748
|
Local ready
Direct docking supported
|
|
E3L035931
BDB035931
|
US20250051324, Example 90
CNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
|
C24H26F3N5O2 473.499000 |
PGBUQQYUSVCUJI-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720226; PubChem:CID175681749
|
Local ready
Direct docking supported
|
|
E3L035932
BDB035932
|
US20250051324, Example 90
CNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
|
C24H26F3N5O2 473.499000 |
PGBUQQYUSVCUJI-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720227; PubChem:CID175681749
|
Local ready
Direct docking supported
|
|
E3L035933
BDB035933
|
US20250051324, Example 93
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)c(F)n1
|
C23H23F4N5O2 477.462000 |
UDWBAYLPNQRXPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720228; PubChem:CID175681750
|
Local ready
Direct docking supported
|
|
E3L035934
BDB035934
|
US20250051324, Example 99
Cc1c(C(F)(F)F)c(=O)[nH]c2cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)cnc12
|
C24H25F3N6O2 486.498000 |
BDNQEZXCWBOODK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720229; PubChem:CID168931566
|
Local ready
Direct docking supported
|
|
E3L035935
BDB035935
|
US20250051324, Example 100
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(C)c(C(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C22H24F2N6O2 442.470000 |
VIVOJBNYWJAXRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720230; PubChem:CID166021853
|
Local ready
Direct docking supported
|
|
E3L035936
BDB035936
|
BDBM722734
COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccccc3)c3c(c12)OCC3
|
C23H20N2O6S 452.488000 |
RYNQNLVACMLKJW-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM722734; PubChem:CID170064750
|
Local ready
Direct docking supported
|
|
E3L035937
BDB035937
|
BDBM722736
COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccsc3)c3c(c12)OCC3
|
C21H18N2O6S2 458.517000 |
FUTFLHCTDBBMKY-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM722736; PubChem:CID170064802
|
Local ready
Direct docking supported
|
|
E3L035938
BDB035938
|
BDBM722737
COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccoc3)c3c(c12)OCC3
|
C21H18N2O7S 442.449000 |
LOQTXAWVBCERID-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM722737; PubChem:CID170064805
|
Local ready
Direct docking supported
|
|
E3L035939
BDB035939
|
BDBM722738
COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3cccs3)c3c(c12)OCC3
|
C21H18N2O6S2 458.517000 |
CQZALVPODJZJJW-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM722738; PubChem:CID170064809
|
Local ready
Direct docking supported
|
|
E3L035940
BDB035940
|
BDBM722739
COc1csc(-c2cc3onc(NS(=O)(=O)c4c(OC)cccc4OC)c3c3c2CCO3)c1
|
C22H20N2O7S2 488.543000 |
QJVFAMSZQUELSE-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM722739; PubChem:CID170064811
|
Local ready
Direct docking supported
|