| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051821
BDB051821
|
BDBM50309365
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1
|
C25H20Cl2F2N4O2 517.363000 |
VNSWIQZZOHDMAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309365; PubChem:CID46229848
|
Local ready
Direct docking supported
|
|
E3L051822
BDB051822
|
BDBM50309366
CN(C)C(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C25H28Cl2FN5O3 536.435000 |
KOXUSQYCBSKEKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309366; PubChem:CID46230426
|
Local ready
Direct docking supported
|
|
E3L051823
BDB051823
|
BDBM50309367
CN(C)CC(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H24Cl2FN5O3 508.381000 |
URRPAFUDRLDWED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309367; PubChem:CID46230379
|
Local ready
Direct docking supported
|
|
E3L051824
BDB051824
|
BDBM50309368
CN(C)C(=O)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H22Cl2FN5O4 522.364000 |
WIQFRYIFXQVNDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309368; PubChem:CID46230378
|
Local ready
Direct docking supported
|
|
E3L051825
BDB051825
|
BDBM50309369
CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C21H22Cl2FN5O4S 530.409000 |
FDIOVXDYQPWXIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309369; PubChem:CID46230377
|
Local ready
Direct docking supported
|
|
E3L051826
BDB051826
|
BDBM50309370
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C21H21Cl2FN4O4S 515.394000 |
KRVUNMSOWZKYTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309370; PubChem:CID46230376
|
Local ready
Direct docking supported
|
|
E3L051827
BDB051827
|
BDBM50309371
CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C22H22Cl2FN5O3 494.354000 |
IYZGMTPUQWNOER-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309371; PubChem:CID46229804
|
Local ready
Direct docking supported
|
|
E3L051828
BDB051828
|
BDBM50309372
O=C(c1ncc[nH]1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H19Cl2FN6O3 517.348000 |
PFMUUSIECIASRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309372; PubChem:CID46230335
|
Local ready
Direct docking supported
|
|
E3L051829
BDB051829
|
BDBM50309373
O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C25H20Cl2FN5O3 528.371000 |
ILPILELZFOGZTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309373; PubChem:CID46230334
|
Local ready
Direct docking supported
|
|
E3L051830
BDB051830
|
BDBM50309374
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1
|
C25H25Cl2FN4O3 519.404000 |
RWGKTDIVOONWAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309374; PubChem:CID46230333
|
Local ready
Direct docking supported
|
|
E3L051831
BDB051831
|
BDBM50309375
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C24H25Cl2FN4O3 507.393000 |
BTSJNBXEIPFXBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309375; PubChem:CID46230332
|
Local ready
Direct docking supported
|
|
E3L051832
BDB051832
|
BDBM50309376
CC(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H23Cl2FN4O3 493.366000 |
IWSBRRNQHWUMAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309376; PubChem:CID46230288
|
Local ready
Direct docking supported
|
|
E3L051833
BDB051833
|
BDBM50309377
CCC(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C22H21Cl2FN4O3 479.339000 |
NNKKJYKDPPOMRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309377; PubChem:CID46230287
|
Local ready
Direct docking supported
|
|
E3L051834
BDB051834
|
BDBM50309378
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(CCO)CC1
|
C21H21Cl2FN4O3 467.328000 |
LLFUKWDXHPJYMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309378; PubChem:CID46230286
|
Local ready
Direct docking supported
|
|
E3L051835
BDB051835
|
BDBM50309379
CN(C)CCN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H26Cl2FN5O2 494.398000 |
JNRNEEZKJZFVLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309379; PubChem:CID46229803
|
Local ready
Direct docking supported
|
|
E3L051836
BDB051836
|
BDBM50309380
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C2CCCCC2)CC1
|
C25H27Cl2FN4O2 505.421000 |
ZUKBGLCCKRTMPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309380; PubChem:CID46230285
|
Local ready
Direct docking supported
|
|
E3L051837
BDB051837
|
BDBM50309381
CCCCN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H25Cl2FN4O2 479.383000 |
WXPYTMJOYLOZQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309381; PubChem:CID46229802
|
Local ready
Direct docking supported
|
|
E3L051838
BDB051838
|
BDBM50309382
CC(C)CN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C23H25Cl2FN4O2 479.383000 |
DQJWNJYOPPRRGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309382; PubChem:CID46230232
|
Local ready
Direct docking supported
|
|
E3L051839
BDB051839
|
BDBM50309383
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCOCC1
|
C19H16Cl2FN3O3 424.259000 |
FCNIANADDXBBJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309383; PubChem:CID46230231
|
Local ready
Direct docking supported
|
|
E3L051840
BDB051840
|
BDBM50309384
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCCCC1
|
C20H18Cl2FN3O2 422.287000 |
JXYSPBRONNKZJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309384; PubChem:CID46229757
|
Local ready
Direct docking supported
|