| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064101
BDB064101
|
BDBM50628428
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(Cl)o2)C1
|
C25H18ClFN6O3 504.909000 |
RDIXPULHZOJKDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628428; PubChem:CID172453581
|
Local ready
Direct docking supported
|
|
E3L064102
BDB064102
|
BDBM50628429
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(Br)o2)C1
|
C25H18BrFN6O3 549.360000 |
STSCRAGBCYODMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628429; PubChem:CID168510454
|
Local ready
Direct docking supported
|
|
E3L064103
BDB064103
|
BDBM50628430
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc([N+](=O)[O-])o2)C1
|
C25H18FN7O5 515.461000 |
CRUIIWMTKDWEDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628430; PubChem:CID172450336
|
Local ready
Direct docking supported
|
|
E3L064104
BDB064104
|
BDBM50628431
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)(F)F)o2)C1
|
C26H18F4N6O3 538.461000 |
QKWXCXKERDPQID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628431; PubChem:CID172469576
|
Local ready
Direct docking supported
|
|
E3L064105
BDB064105
|
BDBM50628432
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)F)o2)C1
|
C26H19F3N6O3 520.471000 |
GWXCJBLTPXPRIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628432; PubChem:CID172469417
|
Local ready
Direct docking supported
|
|
E3L064106
BDB064106
|
BDBM50628433
NCC(F)(F)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C27H22F3N7O3 549.513000 |
GHTBLXNISMBQPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628433; PubChem:CID172467618
|
Local ready
Direct docking supported
|
|
E3L064107
BDB064107
|
BDBM50628434
CNCC(F)(F)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C28H24F3N7O3 563.540000 |
JXWQUVRKJMBFJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628434; PubChem:CID172467357
|
Local ready
Direct docking supported
|
|
E3L064108
BDB064108
|
BDBM50628435
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)(F)CO)o2)C1
|
C27H21F3N6O4 550.497000 |
LXFBUAMALVUULQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628435; PubChem:CID172456540
|
Local ready
Direct docking supported
|
|
E3L064109
BDB064109
|
BDBM50628436
CP(C)(=O)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C27H24FN6O4P 546.499000 |
AQHUMDQLSFGLRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628436; PubChem:CID172460943
|
Local ready
Direct docking supported
|
|
E3L064110
BDB064110
|
BDBM50628437
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C3COC3)o2)C1
|
C28H23FN6O4 526.528000 |
ZFPQZDSXJQDUMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628437; PubChem:CID172457463
|
Local ready
Direct docking supported
|
|
E3L064111
BDB064111
|
BDBM50628438
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C3CCOCC3)o2)C1
|
C30H27FN6O4 554.582000 |
OJKBQPOKCBGKQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628438; PubChem:CID172452217
|
Local ready
Direct docking supported
|
|
E3L064112
BDB064112
|
BDBM50628439
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCC3)o2)C1
|
C29H26FN7O3 539.571000 |
UDYQXFSHQVQHQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628439; PubChem:CID172452124
|
Local ready
Direct docking supported
|
|
E3L064113
BDB064113
|
BDBM50628440
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCCC3)o2)C1
|
C30H28FN7O3 553.598000 |
DVOQAKDWCWDVBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628440; PubChem:CID172466575
|
Local ready
Direct docking supported
|
|
E3L064114
BDB064114
|
BDBM50628441
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCCCC3)o2)C1
|
C31H30FN7O3 567.625000 |
PFENPHISKTURDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628441; PubChem:CID172460666
|
Local ready
Direct docking supported
|
|
E3L064115
BDB064115
|
BDBM50628442
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCOCC3)o2)C1
|
C30H28FN7O4 569.597000 |
GZSOYCMJDRBCTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628442; PubChem:CID172462779
|
Local ready
Direct docking supported
|
|
E3L064116
BDB064116
|
BDBM50628443
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCSCC3)o2)C1
|
C30H28FN7O3S 585.665000 |
HDFOYDQPLOOCKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628443; PubChem:CID172442849
|
Local ready
Direct docking supported
|
|
E3L064117
BDB064117
|
BDBM50628444
CNCc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C27H24FN7O3 513.533000 |
PHASMVZDHXHVLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628444; PubChem:CID172458806
|
Local ready
Direct docking supported
|
|
E3L064118
BDB064118
|
BDBM50628445
CN(C)Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C28H26FN7O3 527.560000 |
NDIYKDSFTRRTBF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628445; PubChem:CID172465735
|
Local ready
Direct docking supported
|
|
E3L064119
BDB064119
|
BDBM50628446
CCN(CC)Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
|
C30H30FN7O3 555.614000 |
BXHGKVUKAOBUJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628446; PubChem:CID172459848
|
Local ready
Direct docking supported
|
|
E3L064120
BDB064120
|
BDBM50628447
Cc1cc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)oc1C
|
C27H23FN6O3 498.518000 |
ZDKNQEQLNUVEGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50628447; PubChem:CID172469460
|
Local ready
Direct docking supported
|