| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061781
BDB061781
|
BDBM50586796
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C
|
C23H25FN4O3 424.476000 |
SCZPGKAQAVZXIX-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586796; PubChem:CID130292564
|
Local ready
Direct docking supported
|
|
E3L061782
BDB061782
|
Parp-1/2-IN-1
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC
|
C24H27FN4O3 438.503000 |
NLWYFXIKIPVWHJ-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586797; PubChem:CID130292366
|
Local ready
Direct docking supported
|
|
E3L061783
BDB061783
|
BDBM50586798
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC
|
C24H27FN4O3 438.503000 |
NLWYFXIKIPVWHJ-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586798; PubChem:CID130292393
|
Local ready
Direct docking supported
|
|
E3L061784
BDB061784
|
BDBM50586799
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F
|
C24H24F4N4O3 492.473000 |
TXIZSRVUVVGWCN-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586799; PubChem:CID130292317
|
Local ready
Direct docking supported
|
|
E3L061785
BDB061785
|
BDBM50586800
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F
|
C24H24F4N4O3 492.473000 |
TXIZSRVUVVGWCN-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586800; PubChem:CID130292529
|
Local ready
Direct docking supported
|
|
E3L061786
BDB061786
|
BDBM50586801
CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1CC
|
C25H29FN4O3 452.530000 |
USANDOAEVNQHRL-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586801; PubChem:CID130292511
|
Local ready
Direct docking supported
|
|
E3L061787
BDB061787
|
BDBM50586802
CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1CC
|
C25H29FN4O3 452.530000 |
USANDOAEVNQHRL-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586802; PubChem:CID130292416
|
Local ready
Direct docking supported
|
|
E3L061788
BDB061788
|
BDBM50586803
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)C
|
C25H29FN4O3 452.530000 |
UJTLXFAELPEGKX-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586803; PubChem:CID130292509
|
Local ready
Direct docking supported
|
|
E3L061789
BDB061789
|
BDBM50586804
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)C
|
C25H29FN4O3 452.530000 |
UJTLXFAELPEGKX-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586804; PubChem:CID130292331
|
Local ready
Direct docking supported
|
|
E3L061790
BDB061790
|
BDBM50586805
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1
|
C26H29FN4O3 464.541000 |
NBNNIAGURKGWAO-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586805; PubChem:CID130292563
|
Local ready
Direct docking supported
|
|
E3L061791
BDB061791
|
BDBM50586806
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1
|
C26H29FN4O3 464.541000 |
NBNNIAGURKGWAO-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586806; PubChem:CID130293186
|
Local ready
Direct docking supported
|
|
E3L061792
BDB061792
|
BDBM50586807
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)=O
|
C24H25FN4O4 452.486000 |
OTEFEZRIUOWLMH-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586807; PubChem:CID130292492
|
Local ready
Direct docking supported
|
|
E3L061793
BDB061793
|
BDBM50586808
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)=O
|
C24H25FN4O4 452.486000 |
OTEFEZRIUOWLMH-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586808; PubChem:CID130292353
|
Local ready
Direct docking supported
|
|
E3L061794
BDB061794
|
BDBM50586809
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C(F)(F)F
|
C24H22F4N4O4 506.456000 |
HEDHFDLLWZBOLO-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586809; PubChem:CID130292365
|
Local ready
Direct docking supported
|
|
E3L061795
BDB061795
|
BDBM50586810
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C(F)(F)F
|
C24H22F4N4O4 506.456000 |
HEDHFDLLWZBOLO-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586810; PubChem:CID130292394
|
Local ready
Direct docking supported
|
|
E3L061796
BDB061796
|
BDBM50586811
CCC(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1CC
|
C25H27FN4O4 466.513000 |
RYCVFUGCROLXMH-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586811; PubChem:CID130293051
|
Local ready
Direct docking supported
|
|
E3L061797
BDB061797
|
BDBM50586812
CCC(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1CC
|
C25H27FN4O4 466.513000 |
RYCVFUGCROLXMH-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586812; PubChem:CID130292373
|
Local ready
Direct docking supported
|
|
E3L061798
BDB061798
|
BDBM50586813
CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C1CC1
|
C26H27FN4O4 478.524000 |
FZWPUFVVEGJNEV-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586813; PubChem:CID130292510
|
Local ready
Direct docking supported
|
|
E3L061799
BDB061799
|
BDBM50586814
CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C1CC1
|
C26H27FN4O4 478.524000 |
FZWPUFVVEGJNEV-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586814; PubChem:CID130292376
|
Local ready
Direct docking supported
|
|
E3L061800
BDB061800
|
BDBM50586855
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C29H32N8O3 540.628000 |
HOJUGDRCVJUBPN-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586855; PubChem:CID166627096
|
Local ready
Direct docking supported
|