| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039681
BDB039681
|
BDBM757048
CCc1cc2ncc(CN3CCN(c4ccc(-c5nnc(C)[nH]5)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C25H28N8O 456.554000 |
ZSAAKXQVHMDJNL-WTQRLHSKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757048
|
Local ready
Direct docking supported
|
|
E3L039682
BDB039682
|
BDBM757049
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C(F)(F)F)c(=O)[nH]c4c3)[C@@H]3CCC32)cn1
|
C23H23F3N6O2 472.471000 |
AFUBZZDOEBNYBN-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757049
|
Local ready
Direct docking supported
|
|
E3L039683
BDB039683
|
BDBM757050
CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)OCCC5)[C@H]3CC[C@H]32)cn1
|
C25H28N6O3 460.538000 |
NVELEVIIIBFNQK-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757050; PubChem:CID168984419
|
Local ready
Direct docking supported
|
|
E3L039684
BDB039684
|
BDBM757051
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(OC)c(=O)[nH]c4c3)[C@H]3CC[C@H]32)cn1
|
C23H26N6O3 434.500000 |
QLWCMXJOZSIGLW-VQTJNVASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757051; PubChem:CID176817119
|
Local ready
Direct docking supported
|
|
E3L039685
BDB039685
|
BDBM757052
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(OC)c(=O)[nH]c4c3)[C@@H]3CCC32)cn1
|
C23H26N6O3 434.500000 |
QLWCMXJOZSIGLW-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757052
|
Local ready
Direct docking supported
|
|
E3L039686
BDB039686
|
BDBM757053
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
NTLIPIHZQJVWJM-ZMFCMNQTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757053
|
Local ready
Direct docking supported
|
|
E3L039687
BDB039687
|
BDBM757054
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)C4CC[C@H]43)cc2[nH]c1=O
|
C24H27FN6O2 450.518000 |
DTBWLHQLECJGTI-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757054
|
Local ready
Direct docking supported
|
|
E3L039688
BDB039688
|
BDBM757055
CCc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C24H27FN6O2 450.518000 |
INIWECRDBJJTBZ-VQCQRNETSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757055
|
Local ready
Direct docking supported
|
|
E3L039689
BDB039689
|
BDBM757056
CCc1c(F)c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C24H27FN6O2 450.518000 |
LSFVDOIBSNWJCD-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757056
|
Local ready
Direct docking supported
|
|
E3L039690
BDB039690
|
BDBM757057
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(F)c(C)c(=O)[nH]c4c3)[C@@H]3CCC32)cn1
|
C23H25FN6O2 436.491000 |
FVQRNLFWMRQUPL-MRTLOADZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757057
|
Local ready
Direct docking supported
|
|
E3L039691
BDB039691
|
BDBM757058
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(C)(F)F)c(=O)[nH]c4c3)[C@@H]3CCC32)cn1
|
C24H26F2N6O2 468.508000 |
MKWJWRCMHZZWAU-FIWHBWSRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757058
|
Local ready
Direct docking supported
|
|
E3L039692
BDB039692
|
BDBM757059
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
NTLIPIHZQJVWJM-ZMFCMNQTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757059
|
Local ready
Direct docking supported
|
|
E3L039693
BDB039693
|
BDBM757060
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C26H30N6O2 458.566000 |
UAXBMDKETCJNCZ-MIHMCVIASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757060
|
Local ready
Direct docking supported
|
|
E3L039694
BDB039694
|
BDBM757061
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)[C@@H]4CC[C@@H]43)cc2[nH]c1=O
|
C26H30N6O2 458.566000 |
UAXBMDKETCJNCZ-BJKOFHAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757061; PubChem:CID168984411
|
Local ready
Direct docking supported
|
|
E3L039695
BDB039695
|
BDBM757062
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)C4CC[C@H]43)cc2[nH]c1=O
|
C26H30N6O2 458.566000 |
UAXBMDKETCJNCZ-MIHMCVIASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757062
|
Local ready
Direct docking supported
|
|
E3L039696
BDB039696
|
BDBM757063
CCC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(CC)=C4)CC2)cn1
|
C24H28N4O2 404.514000 |
IXUDDAPEXVCPBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757063; PubChem:CID158004650
|
Local ready
Direct docking supported
|
|
E3L039697
BDB039697
|
US12357603, Example 01
CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
|
C24H22N2O4S 434.517000 |
CHBUGVLFZKNKNK-UHFFFAOYSA-N | Q92782, Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM757306; PubChem:CID155233897
|
Local ready
Direct docking supported
|
|
E3L039698
BDB039698
|
US12357603, Example 02
CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3)oc2c1
|
C18H18N2O4S 358.419000 |
XLUSLLSVOKPNTI-UHFFFAOYSA-N | Q92782, Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM757307; PubChem:CID155234503
|
Local ready
Direct docking supported
|
|
E3L039699
BDB039699
|
US12357603, Example 03
CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3Cl)oc2c1
|
C18H16Cl2N2O4S 427.309000 |
BLTISHZYBKADRK-UHFFFAOYSA-N | Q92782, Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM757308; PubChem:CID155234409
|
Local ready
Direct docking supported
|
|
E3L039700
BDB039700
|
US12357603, Example 04
CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)oc2c1
|
C18H17ClN2O4S 392.864000 |
CBVDCNXFYSYCHQ-UHFFFAOYSA-N | Q92782, Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM757309; PubChem:CID155234393
|
Local ready
Direct docking supported
|