| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000961
BDB000961
|
BDBM27127
NC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12
|
C19H20N4O3S 384.461000 |
LWYGAYYSBCIGHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27127; PubChem:CID25190740
|
Local ready
Direct docking supported
|
|
E3L000962
BDB000962
|
BDBM27128
CN(C)S(=O)(=O)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C15H21N5O3S 351.432000 |
YKVNCVKRDCRGHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27128; PubChem:CID25190741
|
Local ready
Direct docking supported
|
|
E3L000963
BDB000963
|
BDBM27129
CCN(CC)CCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C19H29N5O 343.475000 |
YFWKBYJZGLOJSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27129; PubChem:CID25190742
|
Local ready
Direct docking supported
|
|
E3L000964
BDB000964
|
2-(piperazin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CNCCN3)[nH]c12
|
C12H15N5O 245.286000 |
PNRIMHRPMGAVEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27130; PubChem:CID18428022
|
Local ready
Direct docking supported
|
|
E3L000965
BDB000965
|
BDBM27131
CN1CCN(C)C(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C14H19N5O 273.340000 |
JTXIYMSDKKWBBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27131; PubChem:CID18428266
|
Local ready
Direct docking supported
|
|
E3L000966
BDB000966
|
BDBM27132
CC(C)N1CCC(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CC1
|
C16H21ClN4O 320.824000 |
ZSACYEJSTFTIBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27132; PubChem:CID25190743
|
Local ready
Direct docking supported
|
|
E3L000967
BDB000967
|
BDBM27133
CCCN1CCC(c2nc3c(C(N)=O)cccc3n2C)CC1
|
C17H24N4O 300.406000 |
PYCOJOVNVSUACM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27133; PubChem:CID25190744
|
Local ready
Direct docking supported
|
|
E3L000968
BDB000968
|
BDBM27134
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CNC1
|
C12H14N4O 230.271000 |
PRYWBWSMHQZWSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27134; PubChem:CID11960831
|
Local ready
Direct docking supported
|
|
E3L000969
BDB000969
|
Veliparib
C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1
|
C13H16N4O 244.298000 |
JNAHVYVRKWKWKQ-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27135; PubChem:CID11960529
|
Local ready
Direct docking supported
|
|
E3L000970
BDB000970
|
BDBM27136
C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1
|
C13H16N4O 244.298000 |
JNAHVYVRKWKWKQ-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27136; PubChem:CID11842604
|
Local ready
Direct docking supported
|
|
E3L000971
BDB000971
|
BDBM27137
CN1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C14H18N4O 258.325000 |
XMDBCOUWMGTQRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27137; PubChem:CID11960530
|
Local ready
Direct docking supported
|
|
E3L000972
BDB000972
|
BDBM27138
CN1CCCC1c1nc2cccc(C(N)=O)c2[nH]1
|
C13H16N4O 244.298000 |
CZGUWBMWWWXIOR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27138; PubChem:CID25190745
|
Local ready
Direct docking supported
|
|
E3L000973
BDB000973
|
BDBM27139
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCNC1
|
C13H16N4O 244.298000 |
JSGRLNJKTKDILH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27139; PubChem:CID11960631
|
Local ready
Direct docking supported
|
|
E3L000974
BDB000974
|
BDBM27140
CC(C)N1CCC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C16H22N4O 286.379000 |
MXVHYHSXVGUFLG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27140; PubChem:CID11960635
|
Local ready
Direct docking supported
|
|
E3L000975
BDB000975
|
BDBM27141
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCCN1
|
C14H18N4O 258.325000 |
JOCGPVNERHRBMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27141; PubChem:CID11960919
|
Local ready
Direct docking supported
|
|
E3L000976
BDB000976
|
2-(piperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCCCN3)[nH]c12
|
C13H16N4O 244.298000 |
QRGBDUGNPYKQHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27142; PubChem:CID25190746
|
Local ready
Direct docking supported
|
|
E3L000977
BDB000977
|
BDBM27143
CCCN1CCCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
|
C17H24N4O 300.406000 |
TUJCKTUZCVMCML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27143; PubChem:CID11960920
|
Local ready
Direct docking supported
|
|
E3L000978
BDB000978
|
BDBM27144
CCCN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
|
C16H22N4O 286.379000 |
ZAYFJAYEEOETOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27144; PubChem:CID25190747
|
Local ready
Direct docking supported
|
|
E3L000979
BDB000979
|
BDBM27145
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCCNCC1
|
C15H20N4O 272.352000 |
IGALKCLCCJJLOJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27145; PubChem:CID11960925
|
Local ready
Direct docking supported
|
|
E3L000980
BDB000980
|
BDBM27146
CC1(c2nc3cccc(C(N)=O)c3[nH]2)CCN1
|
C12H14N4O 230.271000 |
YVKBOZCWSWAIOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27146; PubChem:CID11960735
|
Local ready
Direct docking supported
|