| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009081
BDB009081
|
BDBM214154
Cc1cnc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cn1
|
C21H21N5O2 375.432000 |
WDDVGKDLZBURBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214154; PubChem:CID69046775
|
Local ready
Direct docking supported
|
|
E3L009082
BDB009082
|
BDBM214155
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1c[nH]c2ccccc12
|
C24H22N4O2 398.466000 |
OUSMZLBLFBSRNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214155; PubChem:CID69089937
|
Local ready
Direct docking supported
|
|
E3L009083
BDB009083
|
BDBM214157
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1=Cc2cc(Cl)ccc2OC1
|
C25H22ClN3O3 447.922000 |
NUEQHZIAYRFMEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214157; PubChem:CID69044837
|
Local ready
Direct docking supported
|
|
E3L009084
BDB009084
|
BDBM214158
CN(C)CCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C20H26N4O2 354.454000 |
WUNUIXUOKUXWFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214158; PubChem:CID69312073
|
Local ready
Direct docking supported
|
|
E3L009085
BDB009085
|
BDBM214159
O=c1[nH]nc(CCc2cccc(Br)c2)c2c1CCCC2
|
C16H17BrN2O 333.229000 |
IRKMFIPSTLJVTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214159; PubChem:CID69044540
|
Local ready
Direct docking supported
|
|
E3L009086
BDB009086
|
BDBM214160
O=c1[nH]nc(CCc2ccc(F)c(Br)c2)c2c1CCCC2
|
C16H16BrFN2O 351.219000 |
SVIQVZXFJMLQON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214160; PubChem:CID69044975
|
Local ready
Direct docking supported
|
|
E3L009087
BDB009087
|
BDBM214161
O=c1[nH]nc(C(c2ccccc2)C(F)(F)F)c2c1CCCC2
|
C16H15F3N2O 308.303000 |
OLXUKWVAQIAYMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214161; PubChem:CID69046762
|
Local ready
Direct docking supported
|
|
E3L009088
BDB009088
|
BDBM214162
Cc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(O)c1
|
C23H23N3O3 389.455000 |
SSCFDCOLZUVSGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214162; PubChem:CID69045370
|
Local ready
Direct docking supported
|
|
E3L009089
BDB009089
|
BDBM214163
CC(=O)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H23N3O3 401.466000 |
KFZKTLNHCTYMJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214163; PubChem:CID69044935
|
Local ready
Direct docking supported
|
|
E3L009090
BDB009090
|
BDBM214164
COc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1C
|
C24H25N3O3 403.482000 |
PAXCVPYCBMOYBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214164; PubChem:CID69045466
|
Local ready
Direct docking supported
|
|
E3L009091
BDB009091
|
BDBM214165
CCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H25N3O3 403.482000 |
JOKMUELGKRIPRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214165; PubChem:CID69045819
|
Local ready
Direct docking supported
|
|
E3L009092
BDB009092
|
BDBM214166
COc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1F
|
C23H22FN3O3 407.445000 |
QZPBORQBPDDLFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214166; PubChem:CID69043538
|
Local ready
Direct docking supported
|
|
E3L009093
BDB009093
|
BDBM214167
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccc2ccccc12
|
C26H23N3O2 409.489000 |
DVZJJZFYWPLVFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214167; PubChem:CID69046858
|
Local ready
Direct docking supported
|
|
E3L009094
BDB009094
|
BDBM214168
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc2ccccc2c1
|
C26H23N3O2 409.489000 |
PPTHRJHKTGHIMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214168; PubChem:CID69047218
|
Local ready
Direct docking supported
|
|
E3L009095
BDB009095
|
BDBM214169
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(Cl)ccc1O
|
C22H20ClN3O3 409.873000 |
XSFGFXMHGGQXDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214169; PubChem:CID69047817
|
Local ready
Direct docking supported
|
|
E3L009096
BDB009096
|
BDBM214170
CC(C)(C)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C26H29N3O2 415.537000 |
IRBKCMZSOUECDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214170; PubChem:CID69045356
|
Local ready
Direct docking supported
|
|
E3L009097
BDB009097
|
BDBM214171
CC(=O)Nc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H24N4O3 416.481000 |
IALURIIHBIPDCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214171; PubChem:CID69047268
|
Local ready
Direct docking supported
|
|
E3L009098
BDB009098
|
BDBM214172
CCCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
WBNLYSMPCAIAJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214172; PubChem:CID69044243
|
Local ready
Direct docking supported
|
|
E3L009099
BDB009099
|
BDBM214173
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc2ccccc2c1O
|
C26H23N3O3 425.488000 |
AWMIRONBJCBDIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214173; PubChem:CID69308527
|
Local ready
Direct docking supported
|
|
E3L009100
BDB009100
|
BDBM214174
CSc1ccc(Cl)c(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C23H22ClN3O2S 439.968000 |
CXPVDRWJCOURFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214174; PubChem:CID69047241
|
Local ready
Direct docking supported
|