| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009061
BDB009061
|
BDBM214134
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccs1
|
C20H19N3O2S 365.458000 |
VKKWZNAYZQOPJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214134; PubChem:CID69043903
|
Local ready
Direct docking supported
|
|
E3L009062
BDB009062
|
BDBM214135
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccsc1
|
C20H19N3O2S 365.458000 |
SPBKTTFQHBOSDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214135; PubChem:CID69048154
|
Local ready
Direct docking supported
|
|
E3L009063
BDB009063
|
BDBM214136
Cc1ccsc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H21N3O2S 379.485000 |
CYILECUEGZFFOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214136; PubChem:CID69048121
|
Local ready
Direct docking supported
|
|
E3L009064
BDB009064
|
BDBM214137
Cc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)s1
|
C21H21N3O2S 379.485000 |
ZZXWWZXRMNRUOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214137; PubChem:CID69048150
|
Local ready
Direct docking supported
|
|
E3L009065
BDB009065
|
BDBM214138
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc[nH]1
|
C20H20N4O2 348.406000 |
SSCZIDRSJBEBGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214138; PubChem:CID69090309
|
Local ready
Direct docking supported
|
|
E3L009066
BDB009066
|
BDBM214139
Cn1cccc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H22N4O2 362.433000 |
ASSNRNYVOJRKCQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214139; PubChem:CID69307247
|
Local ready
Direct docking supported
|
|
E3L009067
BDB009067
|
BDBM214140
Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)[nH]1
|
C22H24N4O2 376.460000 |
NLLHOQKYRFPUBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214140; PubChem:CID69090608
|
Local ready
Direct docking supported
|
|
E3L009068
BDB009068
|
BDBM214141
Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)n1C
|
C23H26N4O2 390.487000 |
GUJAMIISEDMXLG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214141; PubChem:CID69090638
|
Local ready
Direct docking supported
|
|
E3L009069
BDB009069
|
BDBM214142
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1nccs1
|
C19H18N4O2S 366.446000 |
GDLJBFJWPRPWQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214142; PubChem:CID69090014
|
Local ready
Direct docking supported
|
|
E3L009070
BDB009070
|
BDBM214143
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cscn1
|
C19H18N4O2S 366.446000 |
NXYDWEZDFADWER-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214143; PubChem:CID69090815
|
Local ready
Direct docking supported
|
|
E3L009071
BDB009071
|
BDBM214144
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cncs1
|
C19H18N4O2S 366.446000 |
ZGYLEPMRUCBOIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214144; PubChem:CID69090508
|
Local ready
Direct docking supported
|
|
E3L009072
BDB009072
|
BDBM214145
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccno1
|
C19H18N4O3 350.378000 |
SYOHPHDQYLZMOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214145; PubChem:CID69043838
|
Local ready
Direct docking supported
|
|
E3L009073
BDB009073
|
BDBM214146
Cc1noc(C)c1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H22N4O3 378.432000 |
JWJFLQOWJMJSRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214146; PubChem:CID69044846
|
Local ready
Direct docking supported
|
|
E3L009074
BDB009074
|
BDBM214147
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cccc(Nc4ccccc4)c3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C32H29F3N6O2 586.618000 |
JHUGEQLYFZJRBF-LJQANCHMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM214147; PubChem:CID90318457
|
Local ready
Direct docking supported
|
|
E3L009075
BDB009075
|
BDBM214148
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccncc1
|
C21H20N4O2 360.417000 |
LUWWMXWJDNQLSW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214148; PubChem:CID69047863
|
Local ready
Direct docking supported
|
|
E3L009076
BDB009076
|
BDBM214149
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ncccc1O
|
C21H20N4O3 376.416000 |
WPXDXUPGFMFDNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214149; PubChem:CID69047845
|
Local ready
Direct docking supported
|
|
E3L009077
BDB009077
|
BDBM214150
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccnc1O
|
C21H20N4O3 376.416000 |
OOWZYDKHANTMGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214150; PubChem:CID69090705
|
Local ready
Direct docking supported
|
|
E3L009078
BDB009078
|
BDBM214151
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc(O)nc1
|
C21H20N4O3 376.416000 |
PXLUUNAXXOKUFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214151; PubChem:CID69090621
|
Local ready
Direct docking supported
|
|
E3L009079
BDB009079
|
BDBM214152
O=C(Cc1ccccn1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H22N4O2 374.444000 |
JOJPXUNLPMZOJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214152; PubChem:CID69048161
|
Local ready
Direct docking supported
|
|
E3L009080
BDB009080
|
BDBM214153
O=C(Cc1cccnc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H22N4O2 374.444000 |
YUXAUXWTECPCFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214153; PubChem:CID69045026
|
Local ready
Direct docking supported
|