| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036201
BDB036201
|
US20250082630, Example 30
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(Cl)n1
|
C21H22ClFN6O2 444.898000 |
QIDAOWDILYRHDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726525; PubChem:CID162524536
|
Local ready
Direct docking supported
|
|
E3L036202
BDB036202
|
US20250082630, Example 31
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C22H25FN6O2 424.480000 |
QDVVBHOCAKIZCX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726526; PubChem:CID162524424
|
Local ready
Direct docking supported
|
|
E3L036203
BDB036203
|
US20250082630, Example 32
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)cn1
|
C21H23FN6O2 410.453000 |
XNYRFEVFCHFOAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726527; PubChem:CID162524552
|
Local ready
Direct docking supported
|
|
E3L036204
BDB036204
|
US20250082630, Example 33
CNC(=O)c1ccc(N2CCN(Cc3ccc4ncc(=O)[nH]c4c3F)CC2)cn1
|
C20H21FN6O2 396.426000 |
XNYHAULPSUMSCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726528; PubChem:CID162524503
|
Local ready
Direct docking supported
|
|
E3L036205
BDB036205
|
US20250082630, Example 34
CNC(=O)c1ccc(N2CCN(Cc3ccc4ncc(=O)[nH]c4c3F)CC2)c(Cl)n1
|
C20H20ClFN6O2 430.871000 |
NWVADBUIHLSRJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726529; PubChem:CID162524444
|
Local ready
Direct docking supported
|
|
E3L036206
BDB036206
|
US20250082630, Example 35
CNC(=O)c1ccc(N2CCN(Cc3ccc4ncc(=O)[nH]c4c3F)CC2)c(C)n1
|
C21H23FN6O2 410.453000 |
JIVJXTFKHUAGRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726530; PubChem:CID162524468
|
Local ready
Direct docking supported
|
|
E3L036207
BDB036207
|
US20250082630, Example 36
CNC(=O)c1ccc(N2CCN(Cc3ccc4ncc(=O)[nH]c4c3F)CC2)c(F)n1
|
C20H20F2N6O2 414.416000 |
FXIBELIOJISDGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726531; PubChem:CID162524579
|
Local ready
Direct docking supported
|
|
E3L036208
BDB036208
|
US20250082630, Example 37
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)F)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C22H23F3N6O2 460.460000 |
YFHZFRKAQGGEKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726532; PubChem:CID162524595
|
Local ready
Direct docking supported
|
|
E3L036209
BDB036209
|
US20250082630, Example 38
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)cn1
|
C21H23FN6O3 426.452000 |
VOYSWHUPNAQVMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726533; PubChem:CID162524539
|
Local ready
Direct docking supported
|
|
E3L036210
BDB036210
|
US20250082630, Example 39
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C21H22F2N6O3 444.442000 |
KDTMXRNMMIXUSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726534; PubChem:CID162524528
|
Local ready
Direct docking supported
|
|
E3L036211
BDB036211
|
US20250082630, Example 40
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C22H25FN6O3 440.479000 |
ZYNKGYRAMHOYSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726535; PubChem:CID162524521
|
Local ready
Direct docking supported
|
|
E3L036212
BDB036212
|
US20250082630, Example 41
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(OC)c(=O)[nH]c4c3F)CC2)c(Cl)n1
|
C21H22ClFN6O3 460.897000 |
NAGZIAQPWXFHRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726536; PubChem:CID162524524
|
Local ready
Direct docking supported
|
|
E3L036213
BDB036213
|
US20250082630, Example 42
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(C)c2[nH]c1=O
|
C24H30N6O2 434.544000 |
HWOIIWBARFWCDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726537; PubChem:CID162524462
|
Local ready
Direct docking supported
|
|
E3L036214
BDB036214
|
US20250082630, Example 43
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(C)c2[nH]c1=O
|
C23H27FN6O2 438.507000 |
FPMCPGNKMIUZGV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726538; PubChem:CID162524561
|
Local ready
Direct docking supported
|
|
E3L036215
BDB036215
|
US20250082630, Example 44
CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)c(C)c2[nH]c1=O
|
C23H28N6O2 420.517000 |
FSSXWGUOQSMNNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726539; PubChem:CID162524538
|
Local ready
Direct docking supported
|
|
E3L036216
BDB036216
|
US20250082630, Example 45
CCNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C22H24F2N6O2 442.470000 |
MRYDNDXHUCHROH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726540; PubChem:CID162524589
|
Local ready
Direct docking supported
|
|
E3L036217
BDB036217
|
US20250082630, Example 46
CCNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C23H27FN6O2 438.507000 |
MSUJWJWWUUATRN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726541; PubChem:CID162524499
|
Local ready
Direct docking supported
|
|
E3L036218
BDB036218
|
US20250082630, Example 47
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3F)CC2)c(C)n1
|
C22H22F4N6O2 478.450000 |
AEVCGVQOOIEKLJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726542; PubChem:CID162524594
|
Local ready
Direct docking supported
|
|
E3L036219
BDB036219
|
US20250082630, Example 48
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C21H19F5N6O2 482.413000 |
SOMQMTJCCVWXAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726543; PubChem:CID162524555
|
Local ready
Direct docking supported
|
|
E3L036220
BDB036220
|
US20250082630, Example 49
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C(F)(F)F)c(=O)[nH]c4c3F)CC2)c(Cl)n1
|
C21H19ClF4N6O2 498.868000 |
MLZCDMXRZGALQI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM726544; PubChem:CID162524543
|
Local ready
Direct docking supported
|