| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052241
BDB052241
|
BDBM50315781
CN1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C19H20N4O 320.396000 |
FOGFSNYHDLKAID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315781; PubChem:CID16665775
|
Local ready
Direct docking supported
|
|
E3L052242
BDB052242
|
BDBM50315782
CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
|
C19H20N4O 320.396000 |
OSCYHTCDAZYCLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315782; PubChem:CID16665776
|
Local ready
Direct docking supported
|
|
E3L052243
BDB052243
|
BDBM50315783
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12
|
C19H20N4O 320.396000 |
FJMYVHKWFNIERC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315783; PubChem:CID16665391
|
Local ready
Direct docking supported
|
|
E3L052244
BDB052244
|
BDBM50315784
CN1CCCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C20H22N4O 334.423000 |
RRMZVMRBJRDAFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315784; PubChem:CID16665467
|
Local ready
Direct docking supported
|
|
E3L052245
BDB052245
|
BDBM50315785
CN1CCCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
|
C20H22N4O 334.423000 |
ZLFRATDTTALTRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315785; PubChem:CID16665472
|
Local ready
Direct docking supported
|
|
E3L052246
BDB052246
|
BDBM50315786
CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1
|
C20H22N4O 334.423000 |
FKYXYTRRMYNSQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315786; PubChem:CID16665552
|
Local ready
Direct docking supported
|
|
E3L052247
BDB052247
|
BDBM50315787
CC(C)N1CCCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C22H26N4O 362.477000 |
PQFMYQNBODJBRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315787; PubChem:CID16665469
|
Local ready
Direct docking supported
|
|
E3L052248
BDB052248
|
BDBM50315788
CC(C)N1CCCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
|
C22H26N4O 362.477000 |
QTONZRQJLGKQRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315788; PubChem:CID16665471
|
Local ready
Direct docking supported
|
|
E3L052249
BDB052249
|
BDBM50315789
CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1
|
C22H26N4O 362.477000 |
XAWRSZTWBZKLHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315789; PubChem:CID16665623
|
Local ready
Direct docking supported
|
|
E3L052250
BDB052250
|
BDBM50315790
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12
|
C18H17FN4O 324.359000 |
PWQNJRFUBWATAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315790; PubChem:CID16665848
|
Local ready
Direct docking supported
|
|
E3L052251
BDB052251
|
BDBM50315791
NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12
|
C18H17ClN4O 340.814000 |
DDDDHKQCFORNNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315791; PubChem:CID16665847
|
Local ready
Direct docking supported
|
|
E3L052252
BDB052252
|
BDBM50315792
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12
|
C18H16F2N4O 342.349000 |
XGENYJUHKQYGTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315792; PubChem:CID16665934
|
Local ready
Direct docking supported
|
|
E3L052253
BDB052253
|
BDBM50315793
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12
|
C19H19FN4O 338.386000 |
JYZNVPGMEAGFPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315793; PubChem:CID16666250
|
Local ready
Direct docking supported
|
|
E3L052254
BDB052254
|
BDBM50315794
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12
|
C19H19FN4O 338.386000 |
LGVIXHMVSRYWJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315794; PubChem:CID16665773
|
Local ready
Direct docking supported
|
|
E3L052255
BDB052255
|
BDBM50315795
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3F)nc12
|
C19H18F2N4O 356.376000 |
IKMSCTKNIPLUAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315795; PubChem:CID16666013
|
Local ready
Direct docking supported
|
|
E3L052256
BDB052256
|
BDBM50315796
NC(=O)c1cccc2[nH]c(-c3ccc([C@H]4CCCN4)cc3F)nc12
|
C18H17FN4O 324.359000 |
AHIVQGOUBLVTCB-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315796; PubChem:CID16666332
|
Local ready
Direct docking supported
|
|
E3L052257
BDB052257
|
BDBM50315797
NC(=O)c1cccc2[nH]c(-c3ccc([C@H]4CCCCN4)cc3F)nc12
|
C19H19FN4O 338.386000 |
LGVIXHMVSRYWJL-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315797; PubChem:CID46206097
|
Local ready
Direct docking supported
|
|
E3L052258
BDB052258
|
BDBM50315798
NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12
|
C19H19FN4O 338.386000 |
LGVIXHMVSRYWJL-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315798; PubChem:CID46173035
|
Local ready
Direct docking supported
|
|
E3L052259
BDB052259
|
BDBM50315799
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12
|
C18H18N4O 306.369000 |
AJHYSGSNCMPGLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315799; PubChem:CID46205122
|
Local ready
Direct docking supported
|
|
E3L052260
BDB052260
|
BDBM50315800
CC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C21H24N4O 348.450000 |
PDFSCOZKVDOMRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315800; PubChem:CID16665698
|
Local ready
Direct docking supported
|