| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008421
BDB008421
|
BDBM207567
CN(C)c1ccc(C2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)cc1
|
C21H19FN4O 362.408000 |
FIXBSPKLTDSYJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207567; PubChem:CID136242901
|
Local ready
Direct docking supported
|
|
E3L008422
BDB008422
|
BDBM207568
CN(C)c1ccc(C2CC3=NNC(=O)c4cccc5[nH]c(c3c45)C2)cc1
|
C21H20N4O 344.418000 |
NAIANWLEXAZZRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207568; PubChem:CID136242902
|
Local ready
Direct docking supported
|
|
E3L008423
BDB008423
|
BDBM207569
CC1(C)CCc2[nH]c3cc(F)cc4c3c2C1=NNC4=O
|
C15H14FN3O 271.295000 |
UCDKHNXJMSHBER-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207569; PubChem:CID136242903
|
Local ready
Direct docking supported
|
|
E3L008424
BDB008424
|
BDBM207570
CC1(C)CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C15H15N3O 253.305000 |
HHHFTURDICHXNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207570; PubChem:CID136242904
|
Local ready
Direct docking supported
|
|
E3L008425
BDB008425
|
BDBM207571
CC1(C)CC2=NNC(=O)c3c(F)ccc4[nH]c(c2c34)C1
|
C15H14FN3O 271.295000 |
XDQDKCGQZXCZGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207571; PubChem:CID136242905
|
Local ready
Direct docking supported
|
|
E3L008426
BDB008426
|
BDBM207572
O=C1NN=C2CCCc3[nH]c4c(F)ccc1c4c32
|
C13H10FN3O 243.241000 |
DJZURNHBTYEZHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207572; PubChem:CID136242906
|
Local ready
Direct docking supported
|
|
E3L008427
BDB008427
|
BDBM207573
CC1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C14H12FN3O 257.268000 |
MZLDTLJZDXBQCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207573; PubChem:CID136242907
|
Local ready
Direct docking supported
|
|
E3L008428
BDB008428
|
BDBM207575
O=C1NN=C2CN(C(=O)OCc3ccccc3)Cc3[nH]c4cccc1c4c32
|
C20H16N4O3 360.373000 |
DWPOZLNCERCETA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207575; PubChem:CID136242908
|
Local ready
Direct docking supported
|
|
E3L008429
BDB008429
|
BDBM207576
O=C1NN=C2CN(C(=O)OCc3ccccc3)Cc3[nH]c4cc(F)cc1c4c32
|
C20H15FN4O3 378.363000 |
ANXRWJLGPPKOSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207576; PubChem:CID136242909
|
Local ready
Direct docking supported
|
|
E3L008430
BDB008430
|
BDBM207577
Cn1c2c3c4c(cccc41)C(=O)NN=C3CCC2
|
C14H13N3O 239.278000 |
YFEZIDPRFDUZED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207577; PubChem:CID71626391
|
Local ready
Direct docking supported
|
|
E3L008431
BDB008431
|
BDBM207578
Cn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2
|
C16H17N3O 267.332000 |
REAIHMZTEDGLRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207578; PubChem:CID71626392
|
Local ready
Direct docking supported
|
|
E3L008432
BDB008432
|
BDBM207579
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4Cc2ccccc2)C1
|
C22H21N3O 343.430000 |
VPWIVDPBBPZAEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207579; PubChem:CID71626458
|
Local ready
Direct docking supported
|
|
E3L008433
BDB008433
|
BDBM207580
CN1N=C2CC(C)(C)Cc3c2c2c(cccc2n3C)C1=O
|
C17H19N3O 281.359000 |
BOXOMXHNNVWHMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207580; PubChem:CID71626459
|
Local ready
Direct docking supported
|
|
E3L008434
BDB008434
|
BDBM207581
CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1=O
|
C15H12FN3O2 285.278000 |
YADMFPWTDIQDHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM207581
|
Local ready
Direct docking supported
|
|
E3L008435
BDB008435
|
BDBM207582
CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1O
|
C15H14FN3O2 287.294000 |
TVEKOZNCZJHWEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207582; PubChem:CID136242911
|
Local ready
Direct docking supported
|
|
E3L008436
BDB008436
|
BDBM207583
CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2
|
C19H24N4O 324.428000 |
XPCCVBMKWOBTFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207583; PubChem:CID71626462
|
Local ready
Direct docking supported
|
|
E3L008437
BDB008437
|
BDBM207584
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN(Cc2ccccc2)Cc2ccccc2)C1
|
C31H32N4O 476.624000 |
HYWFTJKIAJYAFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207584; PubChem:CID71626463
|
Local ready
Direct docking supported
|
|
E3L008438
BDB008438
|
BDBM207585
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCCC2)C1
|
C21H26N4O 350.466000 |
KGFVHDYZYNUJJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207585; PubChem:CID71626464
|
Local ready
Direct docking supported
|
|
E3L008439
BDB008439
|
BDBM207586
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCCCC2)C1
|
C22H28N4O 364.493000 |
LNWPRZVIPZXIHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207586; PubChem:CID71626523
|
Local ready
Direct docking supported
|
|
E3L008440
BDB008440
|
BDBM207587
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCOCC2)C1
|
C21H26N4O2 366.465000 |
HAKHQKGUIQODNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207587; PubChem:CID71626524
|
Local ready
Direct docking supported
|