| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000981
BDB000981
|
BDBM27147
CC(C)N1CCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C15H20N4O 272.352000 |
GVDAQOCOWNDZSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27147; PubChem:CID11960736
|
Local ready
Direct docking supported
|
|
E3L000982
BDB000982
|
BDBM27148
CC(C)N1CC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C15H20N4O 272.352000 |
FTZIRHPRWCGCTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27148; PubChem:CID25190748
|
Local ready
Direct docking supported
|
|
E3L000983
BDB000983
|
BDBM27149
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1
|
C13H16N4O 244.298000 |
JNAHVYVRKWKWKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27149; PubChem:CID11960528
|
Local ready
Direct docking supported
|
|
E3L000984
BDB000984
|
BDBM27150
CC(C)N1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
RJELEZQKILTGCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27150; PubChem:CID11960533
|
Local ready
Direct docking supported
|
|
E3L000985
BDB000985
|
BDBM27151
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1C1CCC1
|
C17H22N4O 298.390000 |
IGZLGFQFXDRWON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27151; PubChem:CID11960630
|
Local ready
Direct docking supported
|
|
E3L000986
BDB000986
|
BDBM27152
CN1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C14H18N4O 258.325000 |
QGTORHVYPPNMGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27152; PubChem:CID25190749
|
Local ready
Direct docking supported
|
|
E3L000987
BDB000987
|
BDBM27153
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN(Cc2ccccc2F)C1
|
C20H21FN4O 352.413000 |
BCCUYXQTHHGUHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27153; PubChem:CID11961002
|
Local ready
Direct docking supported
|
|
E3L000988
BDB000988
|
BDBM27154
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN(CCc2ccccc2)C1
|
C21H24N4O 348.450000 |
JIMJKXHFKCOLAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27154; PubChem:CID11960733
|
Local ready
Direct docking supported
|
|
E3L000989
BDB000989
|
BDBM27155
C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCC(=O)N1
|
C13H14N4O2 258.281000 |
NAVOZIXRUWOAFW-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27155; PubChem:CID11959733
|
Local ready
Direct docking supported
|
|
E3L000990
BDB000990
|
BDBM27156
CCC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1
|
C14H18N4O 258.325000 |
MVDCUNZAZJKMCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27156; PubChem:CID25190750
|
Local ready
Direct docking supported
|
|
E3L000991
BDB000991
|
BDBM27157
CCC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1C(C)C
|
C17H24N4O 300.406000 |
XHKSZQPKWNRLCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27157; PubChem:CID25190751
|
Local ready
Direct docking supported
|
|
E3L000992
BDB000992
|
BDBM27158
C[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1
|
C13H15FN4O 262.288000 |
IULLGBUVNORARL-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27158; PubChem:CID11961092
|
Local ready
Direct docking supported
|
|
E3L000993
BDB000993
|
BDBM27159
C[C@]1(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CCCN1
|
C13H15ClN4O 278.743000 |
NNTKJJOBAUIRPI-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27159; PubChem:CID11961010
|
Local ready
Direct docking supported
|
|
E3L000994
BDB000994
|
BDBM27160
CC1(c2nc3c(C(N)=O)cc(C(F)(F)F)cc3[nH]2)CCCN1
|
C14H15F3N4O 312.295000 |
ZSMHEAVFVSTGHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27160; PubChem:CID11961006
|
Local ready
Direct docking supported
|
|
E3L000995
BDB000995
|
BDBM27161
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCNCC1
|
C14H18N4O 258.325000 |
PWESUKOHBQOSBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27161; PubChem:CID25190752
|
Local ready
Direct docking supported
|
|
E3L000996
BDB000996
|
BDBM27162
CC(C)N1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C17H24N4O 300.406000 |
ZOYAYNKIQNXWEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27162; PubChem:CID11960923
|
Local ready
Direct docking supported
|
|
E3L000997
BDB000997
|
BDBM27163
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN(C2CCCC2)CC1
|
C20H28N4O 340.471000 |
ROLMPYDFIXQMOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27163; PubChem:CID11960926
|
Local ready
Direct docking supported
|
|
E3L000998
BDB000998
|
Pha-767491
O=C1NCCc2[nH]c(-c3ccncc3)cc21
|
C12H11N3O 213.240000 |
DKXHSOUZPMHNIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27344; PubChem:CID11715767
|
Local ready
Direct docking supported
|
|
E3L000999
BDB000999
|
BDBM27351
Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
|
C11H11N5O 229.243000 |
FMVMPEYKBFJPAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27351; PubChem:CID11300082
|
Local ready
Direct docking supported
|
|
E3L001000
BDB001000
|
BDBM27493
Cc1nc[nH]c1C1CCN(c2nc3cccc4c3n2CCC4=O)CC1
|
C19H21N5O 335.411000 |
YKJJROIKVYSPDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27493; PubChem:CID15285131
|
Local ready
Direct docking supported
|