| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000941
BDB000941
|
BDBM27107
CN1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1
|
C13H16N4O 244.298000 |
CZGUWBMWWWXIOR-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27107; PubChem:CID25190728
|
Local ready
Direct docking supported
|
|
E3L000942
BDB000942
|
BDBM27108
CC(C)N1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1
|
C15H20N4O 272.352000 |
AACMGYWBWGBZPF-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27108; PubChem:CID25190729
|
Local ready
Direct docking supported
|
|
E3L000943
BDB000943
|
BDBM27109
CC(C)N1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1
|
C15H20N4O 272.352000 |
AACMGYWBWGBZPF-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27109; PubChem:CID25190730
|
Local ready
Direct docking supported
|
|
E3L000944
BDB000944
|
BDBM27110
CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C15H20N4O 272.352000 |
WPNAYAVPVACCCR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27110; PubChem:CID18428039
|
Local ready
Direct docking supported
|
|
E3L000945
BDB000945
|
BDBM27111
CC(C)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C15H20N4O 272.352000 |
VTUQOMWGZRVNBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27111; PubChem:CID18428130
|
Local ready
Direct docking supported
|
|
E3L000946
BDB000946
|
BDBM27112
NC(=O)c1cccc2nc(C3CCN(C4CCCC4)C3)[nH]c12
|
C17H22N4O 298.390000 |
NMAVQCGGQINJLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27112; PubChem:CID25190731
|
Local ready
Direct docking supported
|
|
E3L000947
BDB000947
|
BDBM27113
NC(=O)c1cccc2nc(C3CCN(CCc4ccccc4)C3)[nH]c12
|
C20H22N4O 334.423000 |
SXNHZOTZEGGBEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27113; PubChem:CID25190732
|
Local ready
Direct docking supported
|
|
E3L000948
BDB000948
|
BDBM27114
CN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
|
C14H18N4O 258.325000 |
DYKNQSPXZDEGSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27114; PubChem:CID25190733
|
Local ready
Direct docking supported
|
|
E3L000949
BDB000949
|
BDBM27115
CC(C)N1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
PMXTWIFCBHVUJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27115; PubChem:CID25190734
|
Local ready
Direct docking supported
|
|
E3L000950
BDB000950
|
BDBM27116
CN1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C14H18N4O 258.325000 |
MPKSUIKAIGEMEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27116; PubChem:CID9817572
|
Local ready
Direct docking supported
|
|
E3L000951
BDB000951
|
BDBM27117
CC(C)N1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C16H22N4O 286.379000 |
UDHZVJBDANRMIH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27117; PubChem:CID18428182
|
Local ready
Direct docking supported
|
|
E3L000952
BDB000952
|
BDBM27118
CN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C14H18N4O 258.325000 |
VKTKGDGXDJHDEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27118; PubChem:CID18428218
|
Local ready
Direct docking supported
|
|
E3L000953
BDB000953
|
BDBM27119
CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C16H22N4O 286.379000 |
KXSIHXHEHABEJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27119; PubChem:CID9925908
|
Local ready
Direct docking supported
|
|
E3L000954
BDB000954
|
BDBM27120
CC(C)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C16H22N4O 286.379000 |
UGDXZOURHPLYNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27120; PubChem:CID18428049
|
Local ready
Direct docking supported
|
|
E3L000955
BDB000955
|
BDBM27121
NC(=O)c1cccc2nc(C3CCN(C4CCCC4)CC3)[nH]c12
|
C18H24N4O 312.417000 |
XAYSTJWGYXJQIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27121; PubChem:CID25190735
|
Local ready
Direct docking supported
|
|
E3L000956
BDB000956
|
BDBM27122
N#Cc1ccc(N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)cc1
|
C20H19N5O 345.406000 |
VZMBLEKOYWPSPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27122; PubChem:CID25190736
|
Local ready
Direct docking supported
|
|
E3L000957
BDB000957
|
BDBM27123
CC(C)N1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C17H24N4O 300.406000 |
FXBMDRVJDXWALE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27123; PubChem:CID25190737
|
Local ready
Direct docking supported
|
|
E3L000958
BDB000958
|
BDBM27124
NC(=O)c1cccc2nc(C3CCCN(C4CCCC4)CC3)[nH]c12
|
C19H26N4O 326.444000 |
BHQQKXGTQNEJFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27124; PubChem:CID25190738
|
Local ready
Direct docking supported
|
|
E3L000959
BDB000959
|
BDBM27125
NC(=O)c1cccc2nc([C@@H]3CCC(=O)N3)[nH]c12
|
C12H12N4O2 244.254000 |
IOHRTULIGFHGAL-QMMMGPOBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27125; PubChem:CID25190739
|
Local ready
Direct docking supported
|
|
E3L000960
BDB000960
|
BDBM27126
CC(=O)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C15H18N4O2 286.335000 |
IACRACWAOCNMPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27126; PubChem:CID9925900
|
Local ready
Direct docking supported
|