| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029621
BDB029621
|
BDBM595703
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCC5)CC2)cn1
|
C24H27N5O2 417.513000 |
RLAVYEUXFWGIHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595703; PubChem:CID166021782
|
Local ready
Direct docking supported
|
|
E3L029622
BDB029622
|
BDBM595704
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccoc34)CC2)cn1
|
C23H23N5O3 417.469000 |
ZMNGPSRBNIMINA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595704; PubChem:CID166021799
|
Local ready
Direct docking supported
|
|
E3L029623
BDB029623
|
BDBM595705
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
NRFUZDFQDQVHOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595705; PubChem:CID166021915
|
Local ready
Direct docking supported
|
|
E3L029624
BDB029624
|
Parp1-IN-28
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
|
C23H26N6O2 418.501000 |
CGTMSYJRJVNVNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595706; PubChem:CID166021858
|
Local ready
Direct docking supported
|
|
E3L029625
BDB029625
|
BDBM595707
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)cn1
|
C23H25N5O3 419.485000 |
VYDZBDNXUNQVJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595707; PubChem:CID166021802
|
Local ready
Direct docking supported
|
|
E3L029626
BDB029626
|
BDBM595708
CCc1cc2ncc(CN3CCN(c4ccc(-c5ncc[nH]5)nc4)CC3)cc2[nH]c1=O
|
C23H25N7O 415.501000 |
PZIQPVFNRMBHNG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595708; PubChem:CID166021761
|
Local ready
Direct docking supported
|
|
E3L029627
BDB029627
|
BDBM595709
CCc1cc2ncc([C@@H](C)N3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
IVXICMYZCMLMRU-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595709; PubChem:CID166021943
|
Local ready
Direct docking supported
|
|
E3L029628
BDB029628
|
BDBM595710
CCc1cc2ncc([C@H](C)N3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
IVXICMYZCMLMRU-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595710; PubChem:CID166021933
|
Local ready
Direct docking supported
|
|
E3L029629
BDB029629
|
BDBM595711
CCc1cc2ncc(CN3CCN4c5ccc(C(=O)NC)nc5OC[C@H]4C3)cc2[nH]c1=O
|
C23H26N6O3 434.500000 |
DXIMOTGAHXBNFM-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595711; PubChem:CID166021833
|
Local ready
Direct docking supported
|
|
E3L029630
BDB029630
|
BDBM595712
CCc1cc2ncc(CN3CCC(c4cnc(C(=O)NC)c(F)c4)CC3)cc2[nH]c1=O
|
C23H26FN5O2 423.492000 |
ZBJGWNSGNYBJFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595712; PubChem:CID166021774
|
Local ready
Direct docking supported
|
|
E3L029631
BDB029631
|
BDBM595713
O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
|
C25H28N6O2 444.539000 |
GQMZKZHOFLWYAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595713; PubChem:CID166021917
|
Local ready
Direct docking supported
|
|
E3L029632
BDB029632
|
BDBM595714
CCc1cc2ncc(CN3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C21H23N5O3 393.447000 |
LHJQDBUFOGCZAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595714; PubChem:CID166021863
|
Local ready
Direct docking supported
|
|
E3L029633
BDB029633
|
BDBM595716
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)CC2)cn1
|
C21H24N6O2 392.463000 |
MWZLUKOFFCZCLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595716; PubChem:CID166088778
|
Local ready
Direct docking supported
|
|
E3L029634
BDB029634
|
BDBM595718
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)CC2)c(C#N)n1
|
C22H23N7O2 417.473000 |
XBUSTALBGHJGQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595718; PubChem:CID166089000
|
Local ready
Direct docking supported
|
|
E3L029635
BDB029635
|
BDBM595719
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)CC2)c(C#N)c1
|
C23H24N6O2 416.485000 |
RCDCWJNGVOQTNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595719; PubChem:CID166089010
|
Local ready
Direct docking supported
|
|
E3L029636
BDB029636
|
BDBM595720
CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(F)c4)[C@H](C)C3)cc2[nH]c1=O
|
C23H27FN6O2 438.507000 |
ZEXDERSUGKRXLZ-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595720; PubChem:CID167179069
|
Local ready
Direct docking supported
|
|
E3L029637
BDB029637
|
BDBM595721
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC[C@@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
IJUZKCXOKWVGON-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595721; PubChem:CID169665634
|
Local ready
Direct docking supported
|
|
E3L029638
BDB029638
|
BDBM595722
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC[C@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
IJUZKCXOKWVGON-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595722; PubChem:CID166088962
|
Local ready
Direct docking supported
|
|
E3L029639
BDB029639
|
BDBM595723
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NCCOC)nc4)CC3)cc2[nH]c1=O
|
C24H30N6O3 450.543000 |
NWRQBUCURGZFRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595723; PubChem:CID166021879
|
Local ready
Direct docking supported
|
|
E3L029640
BDB029640
|
BDBM595724
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC(C)C)nc4)CC3)cc2[nH]c1=O
|
C24H30N6O2 434.544000 |
JQALTPGIZVKNTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595724; PubChem:CID166088760
|
Local ready
Direct docking supported
|