| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008441
BDB008441
|
BDBM207588
CCN(CC)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2
|
C21H28N4O 352.482000 |
OGMWSRSCJFPYFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207588; PubChem:CID71626525
|
Local ready
Direct docking supported
|
|
E3L008442
BDB008442
|
BDBM207589
O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCC1
|
C19H22N4O 322.412000 |
ASIFNLNMOYRKGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207589; PubChem:CID71626526
|
Local ready
Direct docking supported
|
|
E3L008443
BDB008443
|
BDBM207590
O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCCC1
|
C20H24N4O 336.439000 |
KVSHPARHGQSONL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207590; PubChem:CID71626527
|
Local ready
Direct docking supported
|
|
E3L008444
BDB008444
|
BDBM207591
O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCOCC1
|
C19H22N4O2 338.411000 |
WWQMIDHLMQTNRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207591; PubChem:CID71626528
|
Local ready
Direct docking supported
|
|
E3L008445
BDB008445
|
BDBM207592
CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CCC2
|
C17H20N4O 296.374000 |
CIRNFRVHNPNZGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207592; PubChem:CID71626529
|
Local ready
Direct docking supported
|
|
E3L008446
BDB008446
|
BDBM207593
CCN(CC)CCn1c2c3c4c(cccc41)C(=O)NN=C3CCC2
|
C19H24N4O 324.428000 |
PNRLVHMYIPKIQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207593; PubChem:CID71626591
|
Local ready
Direct docking supported
|
|
E3L008447
BDB008447
|
BDBM207594
O=C1NN=C2CCCc3c2c2c1cccc2n3CCN(Cc1ccccc1)Cc1ccccc1
|
C29H28N4O 448.570000 |
UXPICZYMZUHZGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207594; PubChem:CID71626592
|
Local ready
Direct docking supported
|
|
E3L008448
BDB008448
|
BDBM207595
CN(C)CCn1c2c3c4c(cc(F)cc41)C(=O)NN=C3CC(C)(C)C2
|
C19H23FN4O 342.418000 |
AHDIVRNRWIUPJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207595; PubChem:CID89657246
|
Local ready
Direct docking supported
|
|
E3L008449
BDB008449
|
BDBM207596
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CC2CO2)C1
|
C18H19N3O2 309.369000 |
CHUANYXVPMSWFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207596; PubChem:CID71626594
|
Local ready
Direct docking supported
|
|
E3L008450
BDB008450
|
BDBM207597
O=C1NN=C2CNCc3[nH]c4cccc1c4c32
|
C12H10N4O 226.239000 |
UDDKBUNBKDWDBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207597; PubChem:CID136242912
|
Local ready
Direct docking supported
|
|
E3L008451
BDB008451
|
BDBM207598
O=C1NN=C2CNCc3[nH]c4cc(F)cc1c4c32
|
C12H9FN4O 244.229000 |
IOEFAUKYMBKXPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207598; PubChem:CID136242913
|
Local ready
Direct docking supported
|
|
E3L008452
BDB008452
|
BDBM207599
CN1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C13H12N4O 240.266000 |
MOHNCACTMNLQPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207599; PubChem:CID136242914
|
Local ready
Direct docking supported
|
|
E3L008453
BDB008453
|
BDBM207600
CC(C)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C15H16N4O 268.320000 |
PZDZBZWWQUDTKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207600; PubChem:CID136242915
|
Local ready
Direct docking supported
|
|
E3L008454
BDB008454
|
BDBM207601
CC(C)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C15H15FN4O 286.310000 |
KXTLTUSKQCUOOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207601; PubChem:CID136242916
|
Local ready
Direct docking supported
|
|
E3L008455
BDB008455
|
BDBM207602
O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cccc1c4c32
|
C16H14N4O2 294.314000 |
UFCYAFSJOZTJKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207602; PubChem:CID136242917
|
Local ready
Direct docking supported
|
|
E3L008456
BDB008456
|
BDBM207603
CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CN(C(=O)C1CC1)C2
|
C20H23N5O2 365.437000 |
YCKLPKOFOIMITK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207603; PubChem:CID71626666
|
Local ready
Direct docking supported
|
|
E3L008457
BDB008457
|
BDBM207604
O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cc(F)cc1c4c32
|
C16H13FN4O2 312.304000 |
MGLRPCROOKIUAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207604; PubChem:CID136242918
|
Local ready
Direct docking supported
|
|
E3L008458
BDB008458
|
BDBM207605
CN(C)CCn1c2c3c4c(cc(F)cc41)C(=O)NN=C3CN(C(=O)C1CC1)C2
|
C20H22FN5O2 383.427000 |
FQNVRHRLGXDLDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207605; PubChem:CID71626668
|
Local ready
Direct docking supported
|
|
E3L008459
BDB008459
|
BDBM207606
CC(C)(C)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C17H18N4O2 310.357000 |
HTRPLWGQNMXGRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207606; PubChem:CID136242919
|
Local ready
Direct docking supported
|
|
E3L008460
BDB008460
|
BDBM207607
CC(C)(C)C(=O)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C17H17FN4O2 328.347000 |
UNRIMNNIMOSTHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207607; PubChem:CID136242920
|
Local ready
Direct docking supported
|