| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036181
BDB036181
|
US20250082630, Example 10
CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)c(Cl)c2CC1=O
|
C23H26ClN5O2 439.947000 |
JABLAUFGTMTLDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726505; PubChem:CID163803465
|
Local ready
Direct docking supported
|
|
E3L036182
BDB036182
|
US20250082630, Example 11
CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(Cl)c2CC1=O
|
C24H28ClN5O2 453.974000 |
NFUPHMJGTPZBME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726506; PubChem:CID164009561
|
Local ready
Direct docking supported
|
|
E3L036183
BDB036183
|
US20250082630, Example 12
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C([C@H](C)F)=N4)CC2)c(F)n1
|
C23H24F3N5O2 459.472000 |
HRZWIYWTELMPMI-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726507; PubChem:CID176456436
|
Local ready
Direct docking supported
|
|
E3L036184
BDB036184
|
US20250082630, Example 13
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C([C@@H](C)F)=N4)CC2)c(F)n1
|
C23H24F3N5O2 459.472000 |
HRZWIYWTELMPMI-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726508; PubChem:CID176456437
|
Local ready
Direct docking supported
|
|
E3L036185
BDB036185
|
US20250082630, Example 14
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C([C@H](C)F)=N4)CC2)c(C)n1
|
C24H27F2N5O2 455.509000 |
LDJNFTLJRBTOFG-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726509; PubChem:CID164009000
|
Local ready
Direct docking supported
|
|
E3L036186
BDB036186
|
US20250082630, Example 15
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C([C@@H](C)F)=N4)CC2)c(C)n1
|
C24H27F2N5O2 455.509000 |
LDJNFTLJRBTOFG-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726510; PubChem:CID164008999
|
Local ready
Direct docking supported
|
|
E3L036187
BDB036187
|
US20250082630, Example 16
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3Cl)CC(=O)C(C)=N4)CC2)cn1
|
C22H24ClN5O2 425.920000 |
JUAADAVFKOCHKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726511; PubChem:CID163736535
|
Local ready
Direct docking supported
|
|
E3L036188
BDB036188
|
US20250082630, Example 17
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3Cl)CC(=O)C(C)=N4)CC2)c(F)n1
|
C22H23ClFN5O2 443.910000 |
UIPUBSRTWCWDMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726512; PubChem:CID163775688
|
Local ready
Direct docking supported
|
|
E3L036189
BDB036189
|
US20250082630, Example 18
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3Cl)CC(=O)C(C)=N4)CC2)c(C)n1
|
C23H26ClN5O2 439.947000 |
HNVDQXKOJOXLMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726513; PubChem:CID164163476
|
Local ready
Direct docking supported
|
|
E3L036190
BDB036190
|
US20250082630, Example 19
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1
|
C24H26F3N5O2 473.499000 |
MFALPVMZGUQZAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726514; PubChem:CID163978495
|
Local ready
Direct docking supported
|
|
E3L036191
BDB036191
|
US20250082630, Example 20
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C)=N4)CC2)c(F)n1
|
C22H23F2N5O2 427.455000 |
GXYJBIBDSSPTAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726515; PubChem:CID163781151
|
Local ready
Direct docking supported
|
|
E3L036192
BDB036192
|
US20250082630, Example 21
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(C(F)F)n1
|
C22H23F3N6O2 460.460000 |
MFOAXDBOEFXNBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726516; PubChem:CID162524421
|
Local ready
Direct docking supported
|
|
E3L036193
BDB036193
|
US20250082630, Example 22
Cc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4F)CC3)c(F)c2[nH]c1=O
|
C20H20F2N6O2 414.416000 |
GMJIXZWNFGXODH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726517; PubChem:CID162524487
|
Local ready
Direct docking supported
|
|
E3L036194
BDB036194
|
BDBM726518
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2[nH]c1=O
|
C23H27FN6O2 438.507000 |
HLKLYCUPDHVKKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM726518
|
Local ready
Direct docking supported
|
|
E3L036195
BDB036195
|
US20250082630, Example 24
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)c(F)c2[nH]c1=O
|
C23H25F3N6O2 474.487000 |
KBCJKTSRDOJFSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726519; PubChem:CID162524515
|
Local ready
Direct docking supported
|
|
E3L036196
BDB036196
|
US20250082630, Example 25
CCc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)c(F)c2[nH]c1=O
|
C21H23FN6O2 410.453000 |
HHFJSSSLDREXQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726520; PubChem:CID162524529
|
Local ready
Direct docking supported
|
|
E3L036197
BDB036197
|
US20250082630, Example 26
CCc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2[nH]c1=O
|
C22H25FN6O2 424.480000 |
CQXOVDCKJWOSRL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726521; PubChem:CID162524426
|
Local ready
Direct docking supported
|
|
E3L036198
BDB036198
|
US20250082630, Example 27
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2[nH]c1=O
|
C22H24F2N6O2 442.470000 |
OYXRNQBQQAYAES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726522; PubChem:CID162524445
|
Local ready
Direct docking supported
|
|
E3L036199
BDB036199
|
US20250082630, Example 28
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)c(F)c2[nH]c1=O
|
C22H24ClFN6O2 458.925000 |
BBVCTJXVXQJOIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726523; PubChem:CID162524566
|
Local ready
Direct docking supported
|
|
E3L036200
BDB036200
|
US20250082630, Example 29
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)c(F)c2[nH]c1=O
|
C22H25FN6O2 424.480000 |
FPNOSKYGAVLSTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726524; PubChem:CID162524431
|
Local ready
Direct docking supported
|