| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008341
BDB008341
|
BDBM206053
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4OC)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)F
|
C44H55FN8O5 794.973000 |
XPCHMXUOYJVUNV-HDBKAAPRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206053
|
Local ready
Direct docking supported
|
|
E3L008342
BDB008342
|
BDBM206054
COc1cc(N2CCC(CN3CCC(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C43H51F2N7O4 767.922000 |
PSTKJQAXKQRKKT-PZGDJNGXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206054
|
Local ready
Direct docking supported
|
|
E3L008343
BDB008343
|
BDBM206055
COc1cc(N2CCC(CN3CCN4c5ccc(C(=O)NC6CCC(=O)NC6=O)nc5OC[C@H]4C3)CC2)ccc1[C@H]1c2[nH]c3ccccc3c2C[C@H](C)N1CC(F)F
|
C43H50F2N8O5 796.920000 |
VPOZGRAOIJNXPP-KJRFUTHZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206055
|
Local ready
Direct docking supported
|
|
E3L008344
BDB008344
|
BDBM206056
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)N[C@H]5CCC(=O)NC5=O)nc4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F2N8O4 768.910000 |
OYMOSSFRFJBEGC-BIJHJSMCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206056
|
Local ready
Direct docking supported
|
|
E3L008345
BDB008345
|
BDBM206057
COc1cc(N2CCC(CN3CCN(c4cnc(C(=O)NC5CCC(=O)NC5=O)cc4OC)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C43H52F2N8O5 798.936000 |
FYKMOMHFGMBFIP-JKIBKLARSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206057
|
Local ready
Direct docking supported
|
|
E3L008346
BDB008346
|
BDBM206058
COc1cc(N2CCC(CN3CCN(c4ccc(C(=O)N[C@@H]5CCC(=O)NC5=O)nc4)CC3)CC2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C42H50F2N8O4 768.910000 |
OYMOSSFRFJBEGC-DZVKURJRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206058
|
Local ready
Direct docking supported
|
|
E3L008347
BDB008347
|
BDBM206059
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1
|
C29H22F4N6O2 562.527000 |
KKAZPZREVDHIQI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206059; PubChem:CID73052173
|
Local ready
Direct docking supported
|
|
E3L008348
BDB008348
|
BDBM206060
C=CCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H20F4N6O2 512.467000 |
VHTQBQQZBUTSPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206060; PubChem:CID73052172
|
Local ready
Direct docking supported
|
|
E3L008349
BDB008349
|
Simmiparib
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C23H18F4N6O2 486.429000 |
QNQFPYADHVFRKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206061; PubChem:CID72736758
|
Local ready
Direct docking supported
|
|
E3L008350
BDB008350
|
BDBM206062
CC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C23H18F4N6O2 486.429000 |
GXHDLDFYYIZXGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206062; PubChem:CID73052171
|
Local ready
Direct docking supported
|
|
E3L008351
BDB008351
|
BDBM206063
CC1c2nnc(C(F)(F)F)n2C(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C24H20F4N6O2 500.456000 |
HPTWIVCFXIQUOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206063; PubChem:CID73052170
|
Local ready
Direct docking supported
|
|
E3L008352
BDB008352
|
BDBM206064
CC1(C)CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C24H20F4N6O2 500.456000 |
DHNMGONLWNLUMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206064; PubChem:CID73052008
|
Local ready
Direct docking supported
|
|
E3L008353
BDB008353
|
BDBM206065
C=CCC1c2nnc(C(F)(F)F)n2C(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C26H22F4N6O2 526.494000 |
IELYOHWDMUSBFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206065; PubChem:CID73052007
|
Local ready
Direct docking supported
|
|
E3L008354
BDB008354
|
BDBM206066
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(Cc2ccccc2)c2nnc(C(F)(F)F)n21
|
C30H24F4N6O2 576.554000 |
NONXRXUOTXVDIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206066; PubChem:CID73052006
|
Local ready
Direct docking supported
|
|
E3L008355
BDB008355
|
BDBM206067
CC1c2nnc(C(F)(F)F)n2C(C)(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H22F4N6O2 514.483000 |
XZMNVUWKNAYZMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206067; PubChem:CID73052005
|
Local ready
Direct docking supported
|
|
E3L008356
BDB008356
|
BDBM206068
COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C23H18F4N6O3 502.428000 |
AYXIQEXODHOKPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206068; PubChem:CID73052004
|
Local ready
Direct docking supported
|
|
E3L008357
BDB008357
|
BDBM206069
CN(C)C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21
|
C24H21F4N7O2 515.471000 |
HPLRPUBCMTYDOJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206069; PubChem:CID73051847
|
Local ready
Direct docking supported
|
|
E3L008358
BDB008358
|
BDBM206070
CCC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C(F)(F)F)n21
|
C25H22F4N6O2 514.483000 |
IODMGWGZYSLCEM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206070; PubChem:CID118136372
|
Local ready
Direct docking supported
|
|
E3L008359
BDB008359
|
BDBM206071
CC1c2nnc(C(F)(F)F)n2C(N(C)C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C25H23F4N7O2 529.498000 |
OTYZHWGTUUKZET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206071; PubChem:CID118136389
|
Local ready
Direct docking supported
|
|
E3L008360
BDB008360
|
BDBM206072
COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C(F)(F)F)n21
|
C24H20F4N6O3 516.455000 |
NUTSENNUNXOXSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM206072; PubChem:CID73051845
|
Local ready
Direct docking supported
|