| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029681
BDB029681
|
BDBM595768
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)[C@H]3C[C@H]32)c(C#N)n1
|
C23H23N7O2 429.484000 |
TWKBPZVLHYNBCJ-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595768; PubChem:CID166088932
|
Local ready
Direct docking supported
|
|
E3L029682
BDB029682
|
BDBM595769
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)[C@H]3C[C@H]32)cn1
|
C22H24N6O2 404.474000 |
PNUGGJXMQJPIDT-VQTJNVASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595769; PubChem:CID166088961
|
Local ready
Direct docking supported
|
|
E3L029683
BDB029683
|
BDBM595770
CNC(=O)c1ncc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cc1F
|
C23H25FN6O2 436.491000 |
PWBWXXPEGYMEDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595770; PubChem:CID166021932
|
Local ready
Direct docking supported
|
|
E3L029684
BDB029684
|
BDBM595771
CCc1cc2ncc(CN3CCN(c4ccc(NC(=O)N5CCOCC5)nc4)CC3)cc2[nH]c1=O
|
C25H31N7O3 477.569000 |
RASWBBLJUIVSGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595771; PubChem:CID166088762
|
Local ready
Direct docking supported
|
|
E3L029685
BDB029685
|
BDBM595772
CCc1cc2ncc(CN3CCN(c4ccc(NC(=O)OC5COC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O4 464.526000 |
WYDTVXOOHUFWQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595772; PubChem:CID166088840
|
Local ready
Direct docking supported
|
|
E3L029686
BDB029686
|
BDBM595773
CCc1cc2ncc(CN3CCN(c4ccc(NC(=O)[C@H]5CCO5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O3 448.527000 |
XOAHISLFUCEWOJ-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595773; PubChem:CID166088947
|
Local ready
Direct docking supported
|
|
E3L029687
BDB029687
|
BDBM595774
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CCC5)c(=O)[nH]c4c3)CC2)cn1
|
C24H28N6O2 432.528000 |
HKDNJKLSSVXHHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595774; PubChem:CID166021904
|
Local ready
Direct docking supported
|
|
E3L029688
BDB029688
|
BDBM595775
CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC5CC5)c(F)c4)CC3)cc2[nH]c1=O
|
C24H27FN6O2 450.518000 |
QKYMNGZMFXZSPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595775; PubChem:CID166088908
|
Local ready
Direct docking supported
|
|
E3L029689
BDB029689
|
BDBM595776
CCc1cc2ncc(CN3CCN(c4ccncn4)CC3)cc2[nH]c1=O
|
C19H22N6O 350.426000 |
ZDOJIZBAAGHORL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595776; PubChem:CID166088988
|
Local ready
Direct docking supported
|
|
E3L029690
BDB029690
|
BDBM595777
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3C[C@H]32)cn1
|
C24H26N6O2 430.512000 |
UILQDROIMAVIGN-FCHUYYIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595777; PubChem:CID166021897
|
Local ready
Direct docking supported
|
|
E3L029691
BDB029691
|
BDBM595778
Cc1cc2ncc(CN3CCN(c4cnc(C(=O)NC5CC5)c(F)c4)CC3)cc2[nH]c1=O
|
C23H25FN6O2 436.491000 |
JKRBUMGMUNEUIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595778; PubChem:CID166089009
|
Local ready
Direct docking supported
|
|
E3L029692
BDB029692
|
BDBM595779
Cc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C24H26N6O2 430.512000 |
KUYVCIUASVOMLV-FCHUYYIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595779; PubChem:CID169665438
|
Local ready
Direct docking supported
|
|
E3L029693
BDB029693
|
BDBM595781
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C25H28N6O2 444.539000 |
AKSJQZQWGJQVEF-XZOQPEGZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595781; PubChem:CID169665631
|
Local ready
Direct docking supported
|
|
E3L029694
BDB029694
|
BDBM595782
O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3C[C@H]32)cn1
|
C26H28N6O2 456.550000 |
CTNUJBULOHXZMU-BJKOFHAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595782; PubChem:CID166021793
|
Local ready
Direct docking supported
|
|
E3L029695
BDB029695
|
BDBM595783
CNC(=O)c1ncc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3C[C@H]32)cc1F
|
C24H25FN6O2 448.502000 |
CGLPZEUMAPWFKV-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595783; PubChem:CID166021852
|
Local ready
Direct docking supported
|
|
E3L029696
BDB029696
|
BDBM595784
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)[C@@H]4C[C@@H]43)cc2[nH]c1=O
|
C24H28N6O3 448.527000 |
MZQSDCAXTKJECI-VQTJNVASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595784; PubChem:CID169665637
|
Local ready
Direct docking supported
|
|
E3L029697
BDB029697
|
BDBM595788
CCc1cc2ncc(CN3CCN(c4ccncc4C#N)CC3)cc2[nH]c1=O
|
C21H22N6O 374.448000 |
QLFGEGISSWKFCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595788; PubChem:CID166088894
|
Local ready
Direct docking supported
|
|
E3L029698
BDB029698
|
BDBM595789
CCNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
|
C24H28N6O2 432.528000 |
FPVDWOVZECADRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595789; PubChem:CID166021771
|
Local ready
Direct docking supported
|
|
E3L029699
BDB029699
|
BDBM595790
CCc1cc2ncc(CN3CCN(c4ccnnc4C#N)CC3)cc2[nH]c1=O
|
C20H21N7O 375.436000 |
MRCYWLXXURPJQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595790; PubChem:CID166088899
|
Local ready
Direct docking supported
|
|
E3L029700
BDB029700
|
BDBM595791
CNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4cc(C)c(=O)[nH]c4c3)C[C@H]2C)cn1
|
C23H28N6O2 420.517000 |
VPAMXHQRZJKFAD-CVEARBPZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595791; PubChem:CID169665440
|
Local ready
Direct docking supported
|