| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040361
BDB040361
|
BDBM760919
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C#N)CC3)cc2[nH]c1=O
|
C23H25N7O2 431.500000 |
PJBJLVKAVWLYSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM760919; PubChem:CID166021865
|
Local ready
Direct docking supported
|
|
E3L040362
BDB040362
|
BDBM760920
CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC)c(F)c4)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
JHSRPZWVYSMIQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM760920; PubChem:CID166021887
|
Local ready
Direct docking supported
|
|
E3L040363
BDB040363
|
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:BDBM760921; PubChem:CID166021858
|
Local ready
Direct docking supported
|
|
E3L040364
BDB040364
|
BDBM760922
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:BDBM760922; PubChem:CID166021802
|
Local ready
Direct docking supported
|
|
E3L040365
BDB040365
|
BDBM760923
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:BDBM760923; PubChem:CID166021917
|
Local ready
Direct docking supported
|
|
E3L040366
BDB040366
|
BDBM760924
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:BDBM760924; PubChem:CID166021929
|
Local ready
Direct docking supported
|
|
E3L040367
BDB040367
|
BDBM761020
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C2CC2)cn1
|
C23H24Cl2N4O3 475.376000 |
AWSQQTPODNNONU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761020; PubChem:CID176157153
|
Local ready
Direct docking supported
|
|
E3L040368
BDB040368
|
BDBM761022
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc2ncccc2cn1
|
C24H22Cl2N4O3 485.371000 |
OIQBDXQQWSNBQT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761022; PubChem:CID176157402
|
Local ready
Direct docking supported
|
|
E3L040369
BDB040369
|
BDBM761023
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(F)nc1
|
C20H20ClFN4O3 418.856000 |
XMGAZRYBJMRUOG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761023; PubChem:CID176846886
|
Local ready
Direct docking supported
|
|
E3L040370
BDB040370
|
BDBM761025
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(F)F)cn1
|
C22H21Cl2F2N3O3 484.330000 |
RIFDLWZITSWFKO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761025; PubChem:CID176157545
|
Local ready
Direct docking supported
|
|
E3L040371
BDB040371
|
BDBM761026
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(F)nc1
|
C20H19Cl2FN4O3 453.301000 |
JWVRGBRRANVEEA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761026; PubChem:CID176157302
|
Local ready
Direct docking supported
|
|
E3L040372
BDB040372
|
BDBM761027
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(F)F)nn1
|
C21H20Cl2F2N4O3 485.318000 |
IETJEFJMURVFIU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761027; PubChem:CID176157581
|
Local ready
Direct docking supported
|
|
E3L040373
BDB040373
|
BDBM761028
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccnn1
|
C20H20Cl2N4O3 435.311000 |
BMUKFMSZDHBWMR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761028; PubChem:CID176157615
|
Local ready
Direct docking supported
|
|
E3L040374
BDB040374
|
BDBM761029
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncncc1F
|
C20H19Cl2FN4O3 453.301000 |
PHEBIHHMOUICDS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761029; PubChem:CID176846754
|
Local ready
Direct docking supported
|
|
E3L040375
BDB040375
|
BDBM761030
Cn1ncc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
|
C21H22Cl2N4O4 465.337000 |
ORTBEZIHXJPEMG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761030; PubChem:CID176157357
|
Local ready
Direct docking supported
|
|
E3L040376
BDB040376
|
BDBM761031
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2ncoc2c1
|
C23H21Cl2N3O4 474.344000 |
ILKLNRDQOFPVQF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761031; PubChem:CID176157407
|
Local ready
Direct docking supported
|
|
E3L040377
BDB040377
|
NLRP3 modulator 8
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(F)cn1
|
C20H19Cl2FN4O3 453.301000 |
LFSWKBNXONLSKK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761032; PubChem:CID176846759
|
Local ready
Direct docking supported
|
|
E3L040378
BDB040378
|
BDBM761033
Cc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C21H22Cl2N4O3 449.338000 |
GXKQMIZMDMYHCD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761033; PubChem:CID176846772
|
Local ready
Direct docking supported
|
|
E3L040379
BDB040379
|
BDBM761034
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(C#N)nc1
|
C21H19Cl2N5O3 460.321000 |
GENJIFLIICHQDN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761034; PubChem:CID176846933
|
Local ready
Direct docking supported
|
|
E3L040380
BDB040380
|
Ghv7HF46BG
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22Cl2N4O3 449.338000 |
VKROEWYACWPSOG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761035; PubChem:CID176157253
|
Local ready
Direct docking supported
|