| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060801
BDB060801
|
BDBM50569154
Cc1noc([C@@H]2[C@@H](c3ccc(C(C)C)cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C25H23F3N4O4 500.477000 |
CWJSKOHSMPHPHW-OMXLDXBASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569154; PubChem:CID164618183
|
Local ready
Direct docking supported
|
|
E3L060802
BDB060802
|
BDBM50569155
Cc1noc([C@@H]2[C@@H](c3cc(Cl)ccc3Cl)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C22H15Cl2F3N4O4 527.286000 |
JPNTUDQTAVFNQU-NNNWTRQLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569155; PubChem:CID164619794
|
Local ready
Direct docking supported
|
|
E3L060803
BDB060803
|
BDBM50569156
Cc1noc([C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C22H15Cl2F3N4O4 527.286000 |
RWEOPLYYVPOQMD-NNNWTRQLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569156; PubChem:CID164628574
|
Local ready
Direct docking supported
|
|
E3L060804
BDB060804
|
BDBM50569157
COc1ccc([C@H]2[C@H](C(F)(F)F)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2onc(C)c2[N+](=O)[O-])cc1OC
|
C24H21F3N4O6 518.448000 |
UEUNSAPUFPALOX-NNTZPNAXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569157; PubChem:CID164612981
|
Local ready
Direct docking supported
|
|
E3L060805
BDB060805
|
BDBM50569158
Cc1noc([C@@H]2[C@@H](c3ccco3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C20H15F3N4O5 448.357000 |
WPYBPYCVEKZGPQ-QOIYZWAUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569158; PubChem:CID164609721
|
Local ready
Direct docking supported
|
|
E3L060806
BDB060806
|
BDBM50569159
Cc1noc([C@@H]2[C@@H](c3cccs3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C20H15F3N4O4S 464.425000 |
AMNQENWIRCFNKC-QOIYZWAUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569159; PubChem:CID164620671
|
Local ready
Direct docking supported
|
|
E3L060807
BDB060807
|
BDBM50569160
Cc1noc([C@@H]2[C@@H](c3cccc4ccccc34)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C26H19F3N4O4 508.456000 |
HHZZSLZGLNZEPC-KAQDMCDHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569160; PubChem:CID164613252
|
Local ready
Direct docking supported
|
|
E3L060808
BDB060808
|
BDBM50569161
Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)N(C)c2ccccc23)c1[N+](=O)[O-]
|
C23H19F3N4O4 472.423000 |
URHJFTIQDOHZKG-IMLKGASGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569161; PubChem:CID164617259
|
Local ready
Direct docking supported
|
|
E3L060809
BDB060809
|
BDBM50569162
C=CCN1C(=O)[C@@]2(N[C@@H](C(F)(F)F)[C@H](c3ccccc3)[C@H]2c2onc(C)c2[N+](=O)[O-])c2ccccc21
|
C25H21F3N4O4 498.461000 |
ADAGTWDSSPGHEK-OMXLDXBASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569162; PubChem:CID164609990
|
Local ready
Direct docking supported
|
|
E3L060810
BDB060810
|
BDBM50569163
CC(=O)N1C(=O)[C@@]2(N[C@@H](C(F)(F)F)[C@H](c3ccccc3)[C@H]2c2onc(C)c2[N+](=O)[O-])c2ccccc21
|
C24H19F3N4O5 500.433000 |
RRZQMGDHYHDPLE-NNTZPNAXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569163; PubChem:CID164628430
|
Local ready
Direct docking supported
|
|
E3L060811
BDB060811
|
BDBM50569164
Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]
|
C27H22N4O4 466.497000 |
YHTSWHGYTYDEJJ-GRSOWLQASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50569164; PubChem:CID164628624
|
Local ready
Direct docking supported
|
|
E3L060812
BDB060812
|
BDBM50569188
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
C30H31N9O4S 613.704000 |
QGOJFKKLWHNNFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569188; PubChem:CID164620063
|
Local ready
Direct docking supported
|
|
E3L060813
BDB060813
|
BDBM50569189
NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5s4)CC3)oc12
|
C29H29N9O4S 599.677000 |
WARUZPFHLRLCHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569189; PubChem:CID164619420
|
Local ready
Direct docking supported
|
|
E3L060814
BDB060814
|
BDBM50569190
NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5o4)CC3)oc12
|
C29H29N9O5 583.609000 |
UPTYBPOYVNYQMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569190; PubChem:CID164625133
|
Local ready
Direct docking supported
|
|
E3L060815
BDB060815
|
BDBM50569191
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12
|
C32H31F3N8O4S 680.713000 |
KAPAUCQOBGHPCQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569191; PubChem:CID164612621
|
Local ready
Direct docking supported
|
|
E3L060816
BDB060816
|
BDBM50569192
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc12
|
C32H33N7O4S 611.728000 |
VAXCTJXSWDBQDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569192; PubChem:CID164625154
|
Local ready
Direct docking supported
|
|
E3L060817
BDB060817
|
BDBM50569193
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(F)c(N)c3)nc12
|
C32H32FN7O4S 629.718000 |
KGKOMCFVVGEADO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569193; PubChem:CID164614010
|
Local ready
Direct docking supported
|
|
E3L060818
BDB060818
|
BDBM50569194
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)c(F)c3)nc12
|
C32H32FN7O4S 629.718000 |
BFQFZYAAJSFZQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569194; PubChem:CID164617093
|
Local ready
Direct docking supported
|
|
E3L060819
BDB060819
|
BDBM50569195
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
|
C31H32N8O4S 612.716000 |
RJIZKFOPJCXLAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569195; PubChem:CID164617022
|
Local ready
Direct docking supported
|
|
E3L060820
BDB060820
|
BDBM50569196
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)cc3F)nc12
|
C32H32FN7O4S 629.718000 |
RPPZPHFJKKPEQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569196; PubChem:CID164620101
|
Local ready
Direct docking supported
|