| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009021
BDB009021
|
BDBM214092
O=C(CCCc1cccs1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H25N3O2S 407.539000 |
JHKURAMHMTXKJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214092; PubChem:CID69045363
|
Local ready
Direct docking supported
|
|
E3L009022
BDB009022
|
BDBM214093
CC(=O)N1CCC(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C23H28N4O3 408.502000 |
IMOHSNJTYIOKIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214093; PubChem:CID69309545
|
Local ready
Direct docking supported
|
|
E3L009023
BDB009023
|
BDBM214094
O=C(Cc1cc(F)cc(F)c1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H21F2N3O2 409.436000 |
AIDYRUASWRAVAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214094; PubChem:CID69046793
|
Local ready
Direct docking supported
|
|
E3L009024
BDB009024
|
BDBM214095
CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H30N4O3 410.518000 |
AUPFLOPFUCPUEC-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214095; PubChem:CID69090034
|
Local ready
Direct docking supported
|
|
E3L009025
BDB009025
|
BDBM214096
CCCN(CCC)[C@@H](C)C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H34N4O2 410.562000 |
KSZYOAGICNCFCW-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214096; PubChem:CID69311957
|
Local ready
Direct docking supported
|
|
E3L009026
BDB009026
|
BDBM214097
O=C(CCC(=O)c1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H25N3O3 415.493000 |
CEPLCJSFHRPNEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214097; PubChem:CID69043476
|
Local ready
Direct docking supported
|
|
E3L009027
BDB009027
|
BDBM214098
O=C(CNC(=O)c1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24N4O3 416.481000 |
ZSVBYVLPSCJYHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214098; PubChem:CID69045475
|
Local ready
Direct docking supported
|
|
E3L009028
BDB009028
|
BDBM214099
COc1cccc(CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C25H27N3O3 417.509000 |
OTOOZNWBJGFDPJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214099; PubChem:CID69045597
|
Local ready
Direct docking supported
|
|
E3L009029
BDB009029
|
BDBM214100
COc1ccc(CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
LFQILEPLNFXQOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214100; PubChem:CID69044436
|
Local ready
Direct docking supported
|
|
E3L009030
BDB009030
|
BDBM214101
Cc1ccc(OCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1C
|
C25H27N3O3 417.509000 |
AMVAZPMIPCIOQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214101; PubChem:CID69044838
|
Local ready
Direct docking supported
|
|
E3L009031
BDB009031
|
BDBM214102
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)[C@H](O)CCc1ccccc1
|
C25H27N3O3 417.509000 |
JTTGIJKSGYIZHQ-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214102; PubChem:CID69047170
|
Local ready
Direct docking supported
|
|
E3L009032
BDB009032
|
BDBM214103
O=C(CCCOc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O3 417.509000 |
MUIMWSIJBUULAE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214103; PubChem:CID69043601
|
Local ready
Direct docking supported
|
|
E3L009033
BDB009033
|
BDBM214104
O=C(CCC(=O)c1cccs1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H23N3O3S 421.522000 |
RRDQYEGIJAIWMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214104; PubChem:CID69045022
|
Local ready
Direct docking supported
|
|
E3L009034
BDB009034
|
BDBM214105
Cc1ccnc(SCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)n1
|
C22H23N5O2S 421.526000 |
JZGVXTQELZTTNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214105; PubChem:CID69044391
|
Local ready
Direct docking supported
|
|
E3L009035
BDB009035
|
BDBM214106
O=C(CCc1ccccc1Cl)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O2 421.928000 |
UZTQLORHSMYTMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214106; PubChem:CID69047264
|
Local ready
Direct docking supported
|
|
E3L009036
BDB009036
|
BDBM214107
O=C(CCc1ccc(Cl)cc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O2 421.928000 |
YQEYSJWQGSZMEM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214107; PubChem:CID69045036
|
Local ready
Direct docking supported
|
|
E3L009037
BDB009037
|
BDBM214108
CCC(C)C(C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1
|
C27H31N3O2 429.564000 |
LDZLIVKPCUTJML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214108; PubChem:CID69045523
|
Local ready
Direct docking supported
|
|
E3L009038
BDB009038
|
BDBM214109
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O3 437.927000 |
ZLBNXVDLWLVCET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214109; PubChem:CID69045786
|
Local ready
Direct docking supported
|
|
E3L009039
BDB009039
|
BDBM214112
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C(c1ccccc1)c1ccccc1
|
C29H27N3O2 449.554000 |
NMTOVBXSIXFYNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214112; PubChem:CID69045833
|
Local ready
Direct docking supported
|
|
E3L009040
BDB009040
|
BDBM214113
O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O4S 451.548000 |
IJIRFCWSNXBDRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214113; PubChem:CID69309831
|
Local ready
Direct docking supported
|