| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018621
BDB018621
|
BDBM438095
CC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3nccs3)n21
|
C24H21FN6O3S 492.536000 |
OLROASMZTZLAHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438095; PubChem:CID140912452
|
Local ready
Direct docking supported
|
|
E3L018622
BDB018622
|
BDBM438096
CC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3ccccn3)n21
|
C26H23FN6O3 486.507000 |
MSDVWFUQWNJZFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438096; PubChem:CID140912442
|
Local ready
Direct docking supported
|
|
E3L018623
BDB018623
|
BDBM438097
Cc1cc(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)n[nH]c1=O
|
C24H22FN7O2 459.485000 |
DWSWFAKFOWKNCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438097; PubChem:CID140912467
|
Local ready
Direct docking supported
|
|
E3L018624
BDB018624
|
BDBM438098
Cc1cc(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5nccs5)n4C(C)C3)c2)n[nH]c1=O
|
C22H20FN7O2S 465.514000 |
FKECEJQQHWUSOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438098; PubChem:CID140912463
|
Local ready
Direct docking supported
|
|
E3L018625
BDB018625
|
BDBM438099
Cc1c(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5nccs5)n4C(C)C3)c2)n[nH]c(=O)c1C
|
C23H22FN7O2S 479.541000 |
GBPKTGDLZUWVLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438099; PubChem:CID140912427
|
Local ready
Direct docking supported
|
|
E3L018626
BDB018626
|
BDBM438100
Cc1c(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)n[nH]c(=O)c1C
|
C25H24FN7O2 473.512000 |
DESLCYGONMKVQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438100; PubChem:CID140912408
|
Local ready
Direct docking supported
|
|
E3L018627
BDB018627
|
BDBM438101
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ncccc3F)n21
|
C27H21F2N7O2 513.508000 |
NUDBPQQBACHYGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438101; PubChem:CID140912459
|
Local ready
Direct docking supported
|
|
E3L018628
BDB018628
|
BDBM438102
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cccc(Cl)n3)n21
|
C27H21ClFN7O2 529.963000 |
COMZNIGBTBJUSF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438102; PubChem:CID140912448
|
Local ready
Direct docking supported
|
|
E3L018629
BDB018629
|
BDBM438103
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccc(F)cn3)n21
|
C27H21F2N7O2 513.508000 |
RAUOBZLXRJONPJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438103; PubChem:CID140912417
|
Local ready
Direct docking supported
|
|
E3L018630
BDB018630
|
Parp1-IN-14
COc1cccc(-c2nnc3n2C(C)CN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)n1
|
C28H24FN7O3 525.544000 |
KFMRDHKVQWDRIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438104; PubChem:CID140912416
|
Local ready
Direct docking supported
|
|
E3L018631
BDB018631
|
BDBM438105
Cc1cccc(-c2nnc3n2C(C)CN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)n1
|
C28H24FN7O2 509.545000 |
JESRFWITUFYYNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438105; PubChem:CID140912414
|
Local ready
Direct docking supported
|
|
E3L018632
BDB018632
|
BDBM438106
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cccc(F)n3)n21
|
C27H21F2N7O2 513.508000 |
PZKCUICRKSIOFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438106; PubChem:CID140912406
|
Local ready
Direct docking supported
|
|
E3L018633
BDB018633
|
BDBM438107
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nc(C(F)(F)F)cs3)n21
|
C26H19F4N7O2S 569.544000 |
VDDBZAYGEVLFRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM438107; PubChem:CID140912471
|
Local ready
Direct docking supported
|
|
E3L018634
BDB018634
|
3-(3-oxo-1H-isoindol-2-yl)pyrrolidine-2,5-dione
O=C1CC(N2Cc3ccccc3C2=O)C(=O)N1
|
C12H10N2O3 230.223000 |
IUENIAFQMNHHCS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM441791; PubChem:CID21115191
|
Local ready
Direct docking supported
|
|
E3L018635
BDB018635
|
2-(2,7-Dioxoazepan-3-yl)-4-nitroisoindole-1,3-dione
O=C1CCCC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1
|
C14H11N3O6 317.257000 |
NDAIRHOMHFYQIG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM441810; PubChem:CID132140500
|
Local ready
Direct docking supported
|
|
E3L018636
BDB018636
|
BDBM441811
O=C1NC(=O)C2(CC2)CC1N1C(=O)c2ccccc2C1=O
|
C15H12N2O4 284.271000 |
AFWKYUGGISRMMC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM441811; PubChem:CID132118349
|
Local ready
Direct docking supported
|
|
E3L018637
BDB018637
|
BDBM443113
CN1CCN(c2ccc(Nc3nccc(N4C(=O)NCC45CCCCC5)n3)nc2)CC1
|
C22H30N8O 422.537000 |
RBSNIGHOISZVRA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM443113; PubChem:CID138595677
|
Local ready
Direct docking supported
|
|
E3L018638
BDB018638
|
BDBM443114
CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(C)CC45CCCCC5)n3)nc2)CC1
|
C23H32N8O 436.564000 |
BCZJHZOLBWWRJF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM443114; PubChem:CID138595627
|
Local ready
Direct docking supported
|
|
E3L018639
BDB018639
|
BDBM443115
CN1CCN(c2ccc(Nc3nccc(N4C(=O)N(Cc5ccccc5)CC45CCCCC5)n3)nc2)CC1
|
C29H36N8O 512.662000 |
KAJDQFDBXWMHBD-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM443115; PubChem:CID138595641
|
Local ready
Direct docking supported
|
|
E3L018640
BDB018640
|
BDBM443116
CN1CCN(c2ccc(Nc3nccc(N4CCNC4=O)n3)nc2)CC1
|
C17H22N8O 354.418000 |
FMPXDCWCCUNMBZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM443116; PubChem:CID138595639
|
Local ready
Direct docking supported
|