| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008901
BDB008901
|
BDBM213963
O=c1[nH]nc(Cc2ccc(CNC3CC3)cc2)c2c1CCCC2
|
C19H23N3O 309.413000 |
VXWXEVXSSUDAML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213963; PubChem:CID69046791
|
Local ready
Direct docking supported
|
|
E3L008902
BDB008902
|
BDBM213964
CC(C)NCc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1
|
C19H25N3O 311.429000 |
OJKSVLGHQVHULZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213964; PubChem:CID69043486
|
Local ready
Direct docking supported
|
|
E3L008903
BDB008903
|
BDBM213965
O=c1[nH]nc(Cc2ccc(CN3CCOCC3)cc2)c2c1CCCC2
|
C20H25N3O2 339.439000 |
MFZPZDIGVGNHDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213965; PubChem:CID69044950
|
Local ready
Direct docking supported
|
|
E3L008904
BDB008904
|
BDBM213966
O=c1[nH]nc(Cc2ccc(CN3CCCC3)cc2)c2c1CCCC2
|
C20H25N3O 323.440000 |
VMWQBHYDNAFWKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213966; PubChem:CID69045817
|
Local ready
Direct docking supported
|
|
E3L008905
BDB008905
|
BDBM213967
O=c1[nH]nc(Cc2ccc(CNC3CCCCC3)cc2)c2c1CCCC2
|
C22H29N3O 351.494000 |
WXNUQJKSIDOXDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213967; PubChem:CID69043828
|
Local ready
Direct docking supported
|
|
E3L008906
BDB008906
|
BDBM213968
O=c1[nH]nc(Cc2ccc(CN3CCC(c4ccccc4)CC3)cc2)c2c1CCCC2
|
C27H31N3O 413.565000 |
UAWIRHDENRNJGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213968; PubChem:CID69043295
|
Local ready
Direct docking supported
|
|
E3L008907
BDB008907
|
BDBM213969
CNCc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1
|
C17H21N3O 283.375000 |
PBCPDLQOUZIANW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213969; PubChem:CID69042173
|
Local ready
Direct docking supported
|
|
E3L008908
BDB008908
|
BDBM213970
CCNCc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1
|
C18H23N3O 297.402000 |
UROGHWHOBIJZCX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213970; PubChem:CID69043376
|
Local ready
Direct docking supported
|
|
E3L008909
BDB008909
|
BDBM213971
CC1CCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1
|
C22H29N3O 351.494000 |
OHMOEIZZRQGSGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213971; PubChem:CID69047856
|
Local ready
Direct docking supported
|
|
E3L008910
BDB008910
|
BDBM213972
O=c1[nH]nc(Cc2ccc(CNCCc3cccc(C(F)(F)F)c3)cc2)c2c1CCCC2
|
C25H26F3N3O 441.497000 |
CEXRQOVXTXHZGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213972; PubChem:CID69311972
|
Local ready
Direct docking supported
|
|
E3L008911
BDB008911
|
BDBM213973
CN(Cc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1)C1CCCCC1
|
C23H31N3O 365.521000 |
XBPDIAGNMZUSQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213973; PubChem:CID69048165
|
Local ready
Direct docking supported
|
|
E3L008912
BDB008912
|
BDBM213974
CC1CCCN1Cc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1
|
C21H27N3O 337.467000 |
RKVIMGNGDFOKGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213974; PubChem:CID69048272
|
Local ready
Direct docking supported
|
|
E3L008913
BDB008913
|
BDBM213975
CN1CCCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1
|
C22H30N4O 366.509000 |
BXTVLWLGMPODHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213975; PubChem:CID69043255
|
Local ready
Direct docking supported
|
|
E3L008914
BDB008914
|
BDBM213976
CN1CCCN(Cc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H30N4O 366.509000 |
DCEPEXFNMGCCHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213976; PubChem:CID69042172
|
Local ready
Direct docking supported
|
|
E3L008915
BDB008915
|
BDBM213977
O=c1[nH]nc(Cc2ccc(F)c(-c3ncccn3)c2)c2c1CCCC2
|
C19H17FN4O 336.370000 |
RZKQFAPJAWVAQL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213977; PubChem:CID25005726
|
Local ready
Direct docking supported
|
|
E3L008916
BDB008916
|
BDBM213978
O=c1[nH]nc(Cc2ccc(F)c(-c3cccnc3)c2)c2c1CCCC2
|
C20H18FN3O 335.382000 |
YJSLEJSGUNXCMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213978; PubChem:CID25005727
|
Local ready
Direct docking supported
|
|
E3L008917
BDB008917
|
BDBM213979
O=c1[nH]nc(Cc2ccc(F)c(-c3ccncc3)c2)c2c1CCCC2
|
C20H18FN3O 335.382000 |
LZEGSNXBAXPYSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213979; PubChem:CID25005728
|
Local ready
Direct docking supported
|
|
E3L008918
BDB008918
|
BDBM213980
CCN(CC)C(=O)c1ccccc1-c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C26H28FN3O2 433.527000 |
IFFRNUOSTBGEQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213980; PubChem:CID25005729
|
Local ready
Direct docking supported
|
|
E3L008919
BDB008919
|
BDBM213982
CN1CCN(CCC(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C23H30FN5O2 427.524000 |
XWKYBFGSADCYRN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213982; PubChem:CID25006086
|
Local ready
Direct docking supported
|
|
E3L008920
BDB008920
|
BDBM213984
O=C(CCC1CCCCC1)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C24H30FN3O2 411.521000 |
PEVVKPDZQSQLBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213984; PubChem:CID25006088
|
Local ready
Direct docking supported
|