| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029641
BDB029641
|
BDBM595725
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CCOCC5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
ANFXMCYPGNTPKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595725; PubChem:CID166082432
|
Local ready
Direct docking supported
|
|
E3L029642
BDB029642
|
BDBM595726
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O3 448.527000 |
CLZNSRRABQPPED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595726; PubChem:CID166088891
|
Local ready
Direct docking supported
|
|
E3L029643
BDB029643
|
BDBM595727
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C25H30N6O3 462.554000 |
ODHIACQHCVHASC-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595727; PubChem:CID166082471
|
Local ready
Direct docking supported
|
|
E3L029644
BDB029644
|
BDBM595728
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C25H30N6O3 462.554000 |
ODHIACQHCVHASC-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595728; PubChem:CID169665664
|
Local ready
Direct docking supported
|
|
E3L029645
BDB029645
|
BDBM595729
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H]5CCC[C@@H]5O)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
CDXOOKCGYZLFNN-RDPSFJRHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595729; PubChem:CID169665578
|
Local ready
Direct docking supported
|
|
E3L029646
BDB029646
|
BDBM595730
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NCCC#N)nc4)CC3)cc2[nH]c1=O
|
C24H27N7O2 445.527000 |
UDGVGGOJPXRESF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595730; PubChem:CID166021862
|
Local ready
Direct docking supported
|
|
E3L029647
BDB029647
|
BDBM595731
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H]5CCCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
SQLBFDDBHHJEHJ-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595731; PubChem:CID169665686
|
Local ready
Direct docking supported
|
|
E3L029648
BDB029648
|
BDBM595732
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@@H]5CCCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
SQLBFDDBHHJEHJ-HXUWFJFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595732; PubChem:CID169665620
|
Local ready
Direct docking supported
|
|
E3L029649
BDB029649
|
BDBM595733
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H]5C[C@](C)(O)C5)nc4)CC3)cc2[nH]c1=O
|
C26H32N6O3 476.581000 |
KLQDVNYYAOOLKF-KQODVJPSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM595733
|
Local ready
Direct docking supported
|
|
E3L029650
BDB029650
|
BDBM595734
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H](C)COC)nc4)CC3)cc2[nH]c1=O
|
C25H32N6O3 464.570000 |
QWLKGQPVJBODNY-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595734; PubChem:CID166021824
|
Local ready
Direct docking supported
|
|
E3L029651
BDB029651
|
BDBM595735
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC[C@@H](C)O)nc4)CC3)cc2[nH]c1=O
|
C24H30N6O3 450.543000 |
ZWHCQFAPVIBLAO-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595735; PubChem:CID166082448
|
Local ready
Direct docking supported
|
|
E3L029652
BDB029652
|
BDBM595736
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N[C@H]5C[C@@H](C#N)C5)nc4)CC3)cc2[nH]c1=O
|
C26H29N7O2 471.565000 |
RRDNBPVCKHADRO-MSEWRSJXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM595736
|
Local ready
Direct docking supported
|
|
E3L029653
BDB029653
|
BDBM595737
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2[nH]c1=O
|
C21H25N7O2 407.478000 |
PNDNWOKCZNSHFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595737; PubChem:CID166089013
|
Local ready
Direct docking supported
|
|
E3L029654
BDB029654
|
BDBM595738
Cc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
KDLMOHGUJZDVDN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595738; PubChem:CID166088847
|
Local ready
Direct docking supported
|
|
E3L029655
BDB029655
|
BDBM595739
CNC(=O)c1ccc(C2=CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
|
C24H25N5O2 415.497000 |
AJOGLCNLWZDRDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595739; PubChem:CID166088926
|
Local ready
Direct docking supported
|
|
E3L029656
BDB029656
|
BDBM595740
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)CC3)cc2[nH]c1=O
|
C23H28N6O3 436.516000 |
GCGBJHWOYBHOEA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595740; PubChem:CID166088881
|
Local ready
Direct docking supported
|
|
E3L029657
BDB029657
|
BDBM595741
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C)c(=O)[nH]c4c3)C[C@H]2C)c(C#N)n1
|
C23H25N7O2 431.500000 |
UWJDCHOAVRJUDK-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595741; PubChem:CID166088882
|
Local ready
Direct docking supported
|
|
E3L029658
BDB029658
|
BDBM595743
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H](CF)C3)cc2[nH]c1=O
|
C23H27FN6O2 438.507000 |
DXTVYXKOSJALKU-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595743; PubChem:CID169665636
|
Local ready
Direct docking supported
|
|
E3L029659
BDB029659
|
BDBM595744
CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(F)c4)[C@H]4C[C@H]43)cc2[nH]c1=O
|
C23H25FN6O2 436.491000 |
DXAJKQYCBRUPBX-UXHICEINSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595744; PubChem:CID166088885
|
Local ready
Direct docking supported
|
|
E3L029660
BDB029660
|
BDBM595745
CCc1cc2ncc(CN3CCN(c4ccc(-c5cnc[nH]5)c(F)c4)CC3)cc2[nH]c1=O
|
C24H25FN6O 432.503000 |
DAFSUIXYDFHIOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595745; PubChem:CID166088883
|
Local ready
Direct docking supported
|