| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008881
BDB008881
|
BDBM213942
O=C(O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H20FN3O4 373.384000 |
PFTHBFLBXZTMHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213942; PubChem:CID25005021
|
Local ready
Direct docking supported
|
|
E3L008882
BDB008882
|
BDBM213944
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCCNCC1
|
C21H25FN4O2 384.455000 |
CLKHEWUOVNVBRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213944; PubChem:CID25005358
|
Local ready
Direct docking supported
|
|
E3L008883
BDB008883
|
BDBM213945
NCc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C16H18FN3O 287.338000 |
CTPYEGJWCKYEOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213945; PubChem:CID25005359
|
Local ready
Direct docking supported
|
|
E3L008884
BDB008884
|
BDBM213946
CN(C)Cc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H22FN3O 315.392000 |
HCIZHQOQQIHRGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213946; PubChem:CID25005360
|
Local ready
Direct docking supported
|
|
E3L008885
BDB008885
|
BDBM213947
CC(C)NCc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H24FN3O 329.419000 |
MUFNERFOMCTXER-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213947; PubChem:CID25005361
|
Local ready
Direct docking supported
|
|
E3L008886
BDB008886
|
BDBM213948
O=c1[nH]nc(Cc2ccc(F)c(CNC3CCCCC3)c2)c2c1CCCC2
|
C22H28FN3O 369.484000 |
YMVMRHXGXNPKEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213948; PubChem:CID25005362
|
Local ready
Direct docking supported
|
|
E3L008887
BDB008887
|
BDBM213949
O=c1[nH]nc(Cc2ccc(F)c(CNC3CCOCC3)c2)c2c1CCCC2
|
C21H26FN3O2 371.456000 |
NFLHTMCUZUFAJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213949; PubChem:CID25005363
|
Local ready
Direct docking supported
|
|
E3L008888
BDB008888
|
BDBM213950
CN1CCC(CN(C)Cc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1
|
C23H31FN4O 398.526000 |
OMKVIACUQYBDSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213950; PubChem:CID69043847
|
Local ready
Direct docking supported
|
|
E3L008889
BDB008889
|
BDBM213951
CN(Cc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C[C@H]1CCCN1C
|
C23H31FN4O 398.526000 |
QEASPZMNDHXKFK-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213951; PubChem:CID25005725
|
Local ready
Direct docking supported
|
|
E3L008890
BDB008890
|
BDBM213952
O=c1[nH]nc(Cc2cccc(CNC3CC3)c2)c2c1CCCC2
|
C19H23N3O 309.413000 |
UZHCBQPKVCOYKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213952; PubChem:CID69045336
|
Local ready
Direct docking supported
|
|
E3L008891
BDB008891
|
BDBM213953
CC(C)NCc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H25N3O 311.429000 |
QTNPZFAIKBZFCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213953; PubChem:CID69045432
|
Local ready
Direct docking supported
|
|
E3L008892
BDB008892
|
BDBM213954
O=c1[nH]nc(Cc2cccc(CN3CCOCC3)c2)c2c1CCCC2
|
C20H25N3O2 339.439000 |
RLJVHCDDZIDVLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213954; PubChem:CID69043506
|
Local ready
Direct docking supported
|
|
E3L008893
BDB008893
|
BDBM213955
O=c1[nH]nc(Cc2cccc(CN3CCCC3)c2)c2c1CCCC2
|
C20H25N3O 323.440000 |
GWLRMXFRTFHQBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213955; PubChem:CID69043345
|
Local ready
Direct docking supported
|
|
E3L008894
BDB008894
|
BDBM213956
O=c1[nH]nc(Cc2cccc(CNC3CCCCC3)c2)c2c1CCCC2
|
C22H29N3O 351.494000 |
VFBDMNNLRKYYOJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213956; PubChem:CID69044916
|
Local ready
Direct docking supported
|
|
E3L008895
BDB008895
|
BDBM213957
CNCc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C17H21N3O 283.375000 |
LKMPZUARSBFMDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213957; PubChem:CID69042156
|
Local ready
Direct docking supported
|
|
E3L008896
BDB008896
|
BDBM213958
CCNCc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C18H23N3O 297.402000 |
RPXHDGFODFKWIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213958; PubChem:CID69045369
|
Local ready
Direct docking supported
|
|
E3L008897
BDB008897
|
BDBM213959
CC1CCN(Cc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H29N3O 351.494000 |
HPPWDHPRAADRRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213959; PubChem:CID69045485
|
Local ready
Direct docking supported
|
|
E3L008898
BDB008898
|
BDBM213960
O=c1[nH]nc(Cc2cccc(CNCCc3ccc(C(F)(F)F)cc3)c2)c2c1CCCC2
|
C25H26F3N3O 441.497000 |
DTHXXJMVRZJDMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213960; PubChem:CID69043393
|
Local ready
Direct docking supported
|
|
E3L008899
BDB008899
|
BDBM213961
CN(Cc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1CCCCC1
|
C23H31N3O 365.521000 |
SKYMPYFEVOMLIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213961; PubChem:CID69048118
|
Local ready
Direct docking supported
|
|
E3L008900
BDB008900
|
BDBM213962
CCC1CCCN1Cc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H29N3O 351.494000 |
OSJDALWDLCNCID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213962; PubChem:CID69090475
|
Local ready
Direct docking supported
|