| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031541
BDB031541
|
BDBM631012
CCc1cc2ncc([C@@H](C)N3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@H]3C)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
IFGWKNJRNNUOIA-LKBUQDJMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631012; PubChem:CID168757331
|
Local ready
Direct docking supported
|
|
E3L031542
BDB031542
|
BDBM631014
CCc1cc2ncc([C@H](C)N3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@H]3C)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
IFGWKNJRNNUOIA-QTCYRWPVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631014; PubChem:CID168757320
|
Local ready
Direct docking supported
|
|
E3L031543
BDB031543
|
BDBM631016
CCNC(=O)c1ccc(OC2CN(Cc3cnc4cc(C)c(=O)[nH]c4c3)C2)cn1
|
C21H23N5O3 393.447000 |
FVJFCCVNCBLNPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631016; PubChem:CID168188349
|
Local ready
Direct docking supported
|
|
E3L031544
BDB031544
|
BDBM631018
Cc1cc2ncc(CN3CC(Oc4ccc(C(=O)NC5CC5)nc4)C3)cc2[nH]c1=O
|
C22H23N5O3 405.458000 |
MUQHGCJJKYLFRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631018; PubChem:CID168188386
|
Local ready
Direct docking supported
|
|
E3L031545
BDB031545
|
BDBM631019
CCNC(=O)c1ccc(OC2CN(Cc3cnc4cc(CC)c(=O)[nH]c4c3)C2)cn1
|
C22H25N5O3 407.474000 |
MKTHRBASLVEIHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631019; PubChem:CID168188299
|
Local ready
Direct docking supported
|
|
E3L031546
BDB031546
|
BDBM631020
CCc1nc2cc(F)c(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@H]3C)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
CTRJAJKSSGZURK-ODXCJYRJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631020; PubChem:CID168757289
|
Local ready
Direct docking supported
|
|
E3L031547
BDB031547
|
BDBM631021
Cc1cc2ncc([C@@H](C)N3C[C@H](Oc4ccc(C#N)nc4)[C@H]3C)cc2[nH]c1=O
|
C21H21N5O2 375.432000 |
IFWZGTLNURLISP-JZKQVHKSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631021; PubChem:CID168757284
|
Local ready
Direct docking supported
|
|
E3L031548
BDB031548
|
BDBM631023
Cc1cc2ncc([C@H](C)N3C[C@H](Oc4ccc(C#N)nc4)[C@H]3C)cc2[nH]c1=O
|
C21H21N5O2 375.432000 |
IFWZGTLNURLISP-MNVSYLFESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631023; PubChem:CID168757338
|
Local ready
Direct docking supported
|
|
E3L031549
BDB031549
|
BDBM631025
Cc1cc2ncc(CN3C[C@H](Oc4ccc(F)nc4)[C@H]3C)cc2[nH]c1=O
|
C19H19FN4O2 354.385000 |
QFEFBDWTMSSFJU-PXAZEXFGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631025; PubChem:CID168757334
|
Local ready
Direct docking supported
|
|
E3L031550
BDB031550
|
BDBM631031
CCc1cc2ncc(CN3C[C@H](n4ccc5nc(C(=O)NC)ccc54)[C@H]3C)cc2[nH]c1=O
|
C24H26N6O2 430.512000 |
KBSMCYZRINDUND-PEBXRYMYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631031; PubChem:CID168188426
|
Local ready
Direct docking supported
|
|
E3L031551
BDB031551
|
BDBM631033
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC)cc4)[C@H]3C)cc2[nH]c1=O
|
C23H26N4O3 406.486000 |
DZZBKASJTFOSFT-SZNDQCEHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631033; PubChem:CID168757283
|
Local ready
Direct docking supported
|
|
E3L031552
BDB031552
|
BDBM631042
CCc1cc2ncc(CN3C[C@H](Oc4cnc(C(=O)NC5CC5)c(F)c4)[C@H]3C)cc2[nH]c1=O
|
C24H26FN5O3 451.502000 |
YGUPDLPFORWMJZ-ASSNKEHSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631042; PubChem:CID168757340
|
Local ready
Direct docking supported
|
|
E3L031553
BDB031553
|
BDBM631043
CNC(=O)c1ccc(O[C@H]2CN(Cc3cnc4cc(C(F)F)c(=O)[nH]c4c3)[C@@H]2C)cn1
|
C21H21F2N5O3 429.427000 |
KLMORKVYYNNTAG-ZMZPIMSZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631043; PubChem:CID168757297
|
Local ready
Direct docking supported
|
|
E3L031554
BDB031554
|
BDBM631045
O=C(NC1CC1)c1ccc(OC2CN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cn1
|
C24H25N5O3 431.496000 |
AVEPLWZGJDFXRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631045; PubChem:CID168188418
|
Local ready
Direct docking supported
|
|
E3L031555
BDB031555
|
BDBM631048
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC5(C)CC5)nc4)[C@H]3C)cc2[nH]c1=O
|
C24H27N5O3 433.512000 |
TUSHQIXXEXUNEC-VFNWGFHPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631048; PubChem:CID168757348
|
Local ready
Direct docking supported
|
|
E3L031556
BDB031556
|
BDBM631050
C[C@@H]1[C@@H](Oc2ccc(C(=O)NC3CC3)nc2)CN1Cc1cnc2cc(C(F)F)c(=O)[nH]c2c1
|
C23H23F2N5O3 455.465000 |
UEQNSAIKTMJYRW-ODXCJYRJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631050; PubChem:CID168188439
|
Local ready
Direct docking supported
|
|
E3L031557
BDB031557
|
BDBM631052
C[C@@H]1[C@@H](Oc2ccc(C(=O)NC3CC3)nc2)CN1Cc1cnc2cc(Cl)c(=O)[nH]c2c1
|
C22H22ClN5O3 439.903000 |
KQHDTFHTHQIGNP-ODXCJYRJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631052; PubChem:CID168188438
|
Local ready
Direct docking supported
|
|
E3L031558
BDB031558
|
BDBM631058
CNC(=O)c1ccc(O[C@H]2CN(Cc3cnc4cc(Cl)c(=O)[nH]c4c3)[C@@H]2C)cn1
|
C20H20ClN5O3 413.865000 |
UCIGYPIWXJMNSE-ZMZPIMSZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631058; PubChem:CID168757312
|
Local ready
Direct docking supported
|
|
E3L031559
BDB031559
|
BDBM631059
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC5CC(F)(F)C5)nc4)[C@H]3C)cc2[nH]c1=O
|
C24H25F2N5O3 469.492000 |
BXLUQWFQIUMMAT-SZNDQCEHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631059; PubChem:CID168757304
|
Local ready
Direct docking supported
|
|
E3L031560
BDB031560
|
BDBM631060
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)N[C@H]5C[C@H](F)C5)nc4)[C@H]3C)cc2[nH]c1=O
|
C24H26FN5O3 451.502000 |
VNHFNJFIEOIRRT-MRXJONPPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM631060
|
Local ready
Direct docking supported
|