| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029661
BDB029661
|
BDBM595746
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)c3ccoc34)CC2)cn1
|
C22H22N6O3 418.457000 |
ZDSXJRSRUNEIGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595746; PubChem:CID166088989
|
Local ready
Direct docking supported
|
|
E3L029662
BDB029662
|
BDBM595748
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C[C@H]2C)cn1
|
C24H28N6O2 432.528000 |
JBDJJKPGSLZMPD-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595748; PubChem:CID166021921
|
Local ready
Direct docking supported
|
|
E3L029663
BDB029663
|
BDBM595749
CCc1cc2ncc(CN3CCN(c4ccc(NC(=O)C5CC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
QPQZUPOEYPFLPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595749; PubChem:CID166088968
|
Local ready
Direct docking supported
|
|
E3L029664
BDB029664
|
BDBM595750
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C#N)[C@H]4C[C@H]43)cc2[nH]c1=O
|
C24H25N7O2 443.511000 |
IAOPKPFMQJOUNF-YADHBBJMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595750; PubChem:CID166088769
|
Local ready
Direct docking supported
|
|
E3L029665
BDB029665
|
BDBM595751
CNC(=O)c1ccc2c(n1)OC[C@@H]1CN(Cc3cnc4cc(C)c(=O)[nH]c4c3)CCN21
|
C22H24N6O3 420.473000 |
LUEKTFALTSGELH-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595751; PubChem:CID166088918
|
Local ready
Direct docking supported
|
|
E3L029666
BDB029666
|
BDBM595752
CNC(=O)c1ccc2c(n1)OC[C@@H]1CN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CCN21
|
C24H26N6O3 446.511000 |
PVQUXVNBYLLBPW-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595752; PubChem:CID166088873
|
Local ready
Direct docking supported
|
|
E3L029667
BDB029667
|
BDBM595753
O=C(NC1COC1)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
|
C25H28N6O3 460.538000 |
YZMRWTLIEVJSOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595753; PubChem:CID166021869
|
Local ready
Direct docking supported
|
|
E3L029668
BDB029668
|
BDBM595754
CCc1cc2ncc(CN3CCN(c4ccccn4)CC3)cc2[nH]c1=O
|
C20H23N5O 349.438000 |
QZDDYQMBLGSZSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595754; PubChem:CID166021756
|
Local ready
Direct docking supported
|
|
E3L029669
BDB029669
|
BDBM595755
C#Cc1ccc(N2CCN(Cc3cnc4cc(CC)c(=O)[nH]c4c3)CC2)nc1
|
C22H23N5O 373.460000 |
IXTIMUQTDOPTKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595755; PubChem:CID166088771
|
Local ready
Direct docking supported
|
|
E3L029670
BDB029670
|
BDBM595756
CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)CCC5)CC2)cn1
|
C23H26N6O2 418.501000 |
NYUPGLRDKTXJIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595756; PubChem:CID166088928
|
Local ready
Direct docking supported
|
|
E3L029671
BDB029671
|
BDBM595757
CCc1nc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C21H25N7O2 407.478000 |
LLWBJRNCNUYYCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595757; PubChem:CID166088793
|
Local ready
Direct docking supported
|
|
E3L029672
BDB029672
|
BDBM595758
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5COC5)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C25H28N6O3 460.538000 |
QXCNULHECCXKJL-XZOQPEGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595758; PubChem:CID169665582
|
Local ready
Direct docking supported
|
|
E3L029673
BDB029673
|
BDBM595759
CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)CC3)cc2[nH]c1=O
|
C24H29N5O3 435.528000 |
QXZLUQZMTMMACI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595759; PubChem:CID166088997
|
Local ready
Direct docking supported
|
|
E3L029674
BDB029674
|
BDBM595760
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
PVOOFJMJDHPMBT-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595760; PubChem:CID166021929
|
Local ready
Direct docking supported
|
|
E3L029675
BDB029675
|
BDBM595761
CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C21H25N7O2 407.478000 |
BADIQBUKZDCKJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595761; PubChem:CID166088767
|
Local ready
Direct docking supported
|
|
E3L029676
BDB029676
|
BDBM595762
CCc1cc2ncc(CN3CCN(c4ccc(-n5cccn5)nc4)CC3)cc2[nH]c1=O
|
C23H25N7O 415.501000 |
AVJJOMZFTWZLOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595762; PubChem:CID166088860
|
Local ready
Direct docking supported
|
|
E3L029677
BDB029677
|
BDBM595764
CNC(=O)c1ccc2c(c1F)OC[C@@H]1CN(Cc3cnc4cc(C)c(=O)[nH]c4c3)CCN21
|
C23H24FN5O3 437.475000 |
DMWSSRDLBOPACD-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595764; PubChem:CID166088975
|
Local ready
Direct docking supported
|
|
E3L029678
BDB029678
|
BDBM595765
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(C)c(C)c(=O)[nH]c4c3)CC2)cn1
|
C22H26N6O2 406.490000 |
ZPMQPQRXXFQWAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595765; PubChem:CID166088966
|
Local ready
Direct docking supported
|
|
E3L029679
BDB029679
|
BDBM595766
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4C[C@H]43)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
PVOOFJMJDHPMBT-RTWAWAEBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595766; PubChem:CID166088848
|
Local ready
Direct docking supported
|
|
E3L029680
BDB029680
|
BDBM595767
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)c(C#N)n1
|
C24H25N7O2 443.511000 |
BJIIXHJAFPCRRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595767; PubChem:CID166021822
|
Local ready
Direct docking supported
|