| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014361
BDB014361
|
US10195181, Example 19
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC=C[C@H](C)O1
|
C22H30N4O4 414.506000 |
DHKVZDFNSDUEAS-GUYCJALGSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM331993; PubChem:CID118511165
|
Local ready
Direct docking supported
|
|
E3L014362
BDB014362
|
US10195181, Example 23
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@@H](C(C)(C)Br)CO1
|
C23H33BrN4O4 509.445000 |
LGQRIJXNYHWSQP-WBVHZDCISA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM332001; PubChem:CID118511064
|
Local ready
Direct docking supported
|
|
E3L014363
BDB014363
|
US10195181, Example 25a
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1OCC(C(C)(C)C)O1
|
C23H34N4O5 446.548000 |
XDTHTVWRJCHZCK-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM332005; PubChem:CID118511076
|
Local ready
Direct docking supported
|
|
E3L014364
BDB014364
|
BDBM332708
NC(=O)c1cccc2[nH]c(N3CCN(c4ncccn4)CC3)nc12
|
C16H17N7O 323.360000 |
HVYNWTOZTVWLFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332708; PubChem:CID87055716
|
Local ready
Direct docking supported
|
|
E3L014365
BDB014365
|
BDBM332709
NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12
|
C16H16FN7O 341.350000 |
ADHVDIDMAQCSQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332709; PubChem:CID87055717
|
Local ready
Direct docking supported
|
|
E3L014366
BDB014366
|
BDBM332710
CCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C18H22N8O 366.429000 |
RXQKALCTXYWXKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332710; PubChem:CID87055718
|
Local ready
Direct docking supported
|
|
E3L014367
BDB014367
|
BDBM332711
CC(=O)Nc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C18H20N8O2 380.412000 |
JKCIQVLFDXGXPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332711; PubChem:CID87055719
|
Local ready
Direct docking supported
|
|
E3L014368
BDB014368
|
BDBM332712
COc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C17H19N7O2 353.386000 |
FYQPAHBPAZJMBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332712; PubChem:CID87055720
|
Local ready
Direct docking supported
|
|
E3L014369
BDB014369
|
BDBM332713
NC(=O)c1cccc2[nH]c(N3CCN(c4ncc(N)cn4)CC3)nc12
|
C16H18N8O 338.375000 |
FTZBHPYLCQQREK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332713; PubChem:CID87055803
|
Local ready
Direct docking supported
|
|
E3L014370
BDB014370
|
BDBM332714
NC(=O)c1cccc2[nH]c(N3CCN(c4ccncn4)CC3)nc12
|
C16H17N7O 323.360000 |
GEGQNLXASRPTBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332714; PubChem:CID87055797
|
Local ready
Direct docking supported
|
|
E3L014371
BDB014371
|
BDBM332715
CCNc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C19H23N7O 365.441000 |
MKKPLKURTJTHQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332715; PubChem:CID87055876
|
Local ready
Direct docking supported
|
|
E3L014372
BDB014372
|
BDBM332716
NC(=O)c1cccc2[nH]c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc12
|
C17H16F3N7O 391.357000 |
VOHLSBRRLDUEES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332716; PubChem:CID87055798
|
Local ready
Direct docking supported
|
|
E3L014373
BDB014373
|
BDBM332717
NC(=O)c1cccc2[nH]c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nc12
|
C17H16F3N7O 391.357000 |
JOHQVCQUVDBUAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332717; PubChem:CID87055877
|
Local ready
Direct docking supported
|
|
E3L014374
BDB014374
|
BDBM332718
CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C19H21N7O2 379.424000 |
OOYXYETUAFDAQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332718; PubChem:CID87055799
|
Local ready
Direct docking supported
|
|
E3L014375
BDB014375
|
BDBM332721
NC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C18H19N7O2 365.397000 |
SVUDLEDXFQANGV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332721; PubChem:CID87055878
|
Local ready
Direct docking supported
|
|
E3L014376
BDB014376
|
BDBM332722
NC(=O)c1cccc2[nH]c(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nc12
|
C18H17F3N6O 390.369000 |
COULKKGPMLMDRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332722; PubChem:CID87055800
|
Local ready
Direct docking supported
|
|
E3L014377
BDB014377
|
BDBM332723
N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C17H16N8O 348.370000 |
MGOIUELPDMPSIZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332723; PubChem:CID87055879
|
Local ready
Direct docking supported
|
|
E3L014378
BDB014378
|
BDBM332724
CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
|
C20H23N7O2 393.451000 |
MWEGMNAKNHSTDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332724; PubChem:CID87055801
|
Local ready
Direct docking supported
|
|
E3L014379
BDB014379
|
BDBM332725
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccncn4)CC3)nc12
|
C16H16FN7O 341.350000 |
HEMWVBOPSUSKRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332725; PubChem:CID87055880
|
Local ready
Direct docking supported
|
|
E3L014380
BDB014380
|
BDBM332726
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ncc(F)cn4)CC3)nc12
|
C16H15F2N7O 359.340000 |
DDEKQKIHEDCDKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332726; PubChem:CID87055802
|
Local ready
Direct docking supported
|