| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008921
BDB008921
|
BDBM213985
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C1CCCNC1
|
C21H25FN4O2 384.455000 |
HMBKEOFNHNZWDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213985; PubChem:CID25006089
|
Local ready
Direct docking supported
|
|
E3L008922
BDB008922
|
BDBM213988
CC(C)NCCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H28N4O2 368.481000 |
HWALXRZDVRXPMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213988; PubChem:CID69044942
|
Local ready
Direct docking supported
|
|
E3L008923
BDB008923
|
BDBM213989
O=C(CN1CCOCC1)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H25FN4O3 400.454000 |
GZBWWLFDBUYPRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213989; PubChem:CID25006092
|
Local ready
Direct docking supported
|
|
E3L008924
BDB008924
|
BDBM213990
O=C(NCCN1CCOCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H28N4O3 396.491000 |
RRMUYVVBKVMBSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213990; PubChem:CID69047450
|
Local ready
Direct docking supported
|
|
E3L008925
BDB008925
|
BDBM213991
O=C(NCCN1CCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H28N4O2 380.492000 |
ASFKNJBZDWXYKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213991; PubChem:CID69043378
|
Local ready
Direct docking supported
|
|
E3L008926
BDB008926
|
BDBM213992
CC1CCCN1C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H25N3O2 351.450000 |
QWUPCDKDSHOSGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213992; PubChem:CID69048174
|
Local ready
Direct docking supported
|
|
E3L008927
BDB008927
|
BDBM213993
O=C(NN1CCCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H28N4O2 380.492000 |
XQDCKWVQXJYZBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213993; PubChem:CID69047351
|
Local ready
Direct docking supported
|
|
E3L008928
BDB008928
|
BDBM213994
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCNCC1
|
C20H24N4O2 352.438000 |
ORVHQBAEOUGXPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213994; PubChem:CID25151297
|
Local ready
Direct docking supported
|
|
E3L008929
BDB008929
|
BDBM213995
O=C(NC1CNC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H22N4O2 338.411000 |
XQPWDVLKCAEIKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213995; PubChem:CID69042158
|
Local ready
Direct docking supported
|
|
E3L008930
BDB008930
|
BDBM213996
O=C(NC1CCCNC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H26N4O2 366.465000 |
BELUNPJAGIFCGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213996; PubChem:CID69044483
|
Local ready
Direct docking supported
|
|
E3L008931
BDB008931
|
BDBM213997
CN(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H26N4O2 402.498000 |
SZZXJEWAKBSLQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213997; PubChem:CID69043230
|
Local ready
Direct docking supported
|
|
E3L008932
BDB008932
|
BDBM213999
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(C(=O)c2ccno2)CC1
|
C24H25N5O4 447.495000 |
RRKMCSDTUSIQMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213999; PubChem:CID69044537
|
Local ready
Direct docking supported
|
|
E3L008933
BDB008933
|
BDBM214000
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCC(c2ccccc2)CC1
|
C27H29N3O2 427.548000 |
LEPIVEZIJCABDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214000; PubChem:CID69090713
|
Local ready
Direct docking supported
|
|
E3L008934
BDB008934
|
BDBM214001
O=C(NCC1CCCCN1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H28N4O2 380.492000 |
JUSARCZLQRAOLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214001; PubChem:CID69043868
|
Local ready
Direct docking supported
|
|
E3L008935
BDB008935
|
BDBM214002
O=C(NCC1CCNCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H28N4O2 380.492000 |
RIMDQSWIHXUUNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214002; PubChem:CID69047205
|
Local ready
Direct docking supported
|
|
E3L008936
BDB008936
|
BDBM214003
O=C(NCCN1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H30N4O2 394.519000 |
KKZSFJSCATVMEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214003; PubChem:CID69044885
|
Local ready
Direct docking supported
|
|
E3L008937
BDB008937
|
BDBM214004
CN1CC(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)C1
|
C20H24N4O2 352.438000 |
GCVCDDACJGUBCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214004; PubChem:CID69090552
|
Local ready
Direct docking supported
|
|
E3L008938
BDB008938
|
BDBM214005
COC(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C16H17N3O3 299.330000 |
AHDNRWZCSWYLNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214005; PubChem:CID69042852
|
Local ready
Direct docking supported
|
|
E3L008939
BDB008939
|
BDBM214006
CNC(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C16H18N4O2 298.346000 |
MUCILJHJVVBYBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214006; PubChem:CID69047789
|
Local ready
Direct docking supported
|
|
E3L008940
BDB008940
|
BDBM214007
CSc1nccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C14H16N4OS 288.376000 |
LRSRNBPZSPHXKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214007; PubChem:CID69048187
|
Local ready
Direct docking supported
|