| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063661
BDB063661
|
Parp-1-IN-3
NC(=O)c1ccccc1OCc1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C21H17BrN2O3 425.282000 |
VYGPONYCLGMRIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50623715; PubChem:CID168355539
|
Local ready
Direct docking supported
|
|
E3L063662
BDB063662
|
BDBM50623716
NC(=O)c1ccccc1NCc1cccc(NC(=O)Nc2cccc(Br)c2)c1
|
C21H19BrN4O2 439.313000 |
XWIGUMPDQVWUGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50623716; PubChem:CID171062559
|
Local ready
Direct docking supported
|
|
E3L063663
BDB063663
|
BDBM50623717
NC(=O)c1ccccc1OCc1cccc(NC(=O)Nc2cccc(Br)c2)c1
|
C21H18BrN3O3 440.297000 |
AKRLOQKVHUWNFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50623717; PubChem:CID171062575
|
Local ready
Direct docking supported
|
|
E3L063664
BDB063664
|
BDBM50624089
CCOc1ccc([C@H]2[C@](C)([N+](=O)[O-])[C@H](c3ccccc3)N[C@]2(C)C(=O)OC)cc1
|
C22H26N2O5 398.459000 |
LVSHUYCCOPBIHN-WAGURGNTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50624089; PubChem:CID169096901
|
Local ready
Direct docking supported
|
|
E3L063665
BDB063665
|
BDBM50624182
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O
|
C98H153N27O25 2109.466000 |
DFSDBFJUWANYES-NOGNSAKRSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50624182
|
Local ready
Direct docking supported
|
|
E3L063666
BDB063666
|
Sulanemadlin
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C95H140N20O23 1930.282000 |
VDLGAZDAHPLOIR-RLPDZDIMSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50624183; PubChem:CID164182053
|
Local ready
Direct docking supported
|
|
E3L063667
BDB063667
|
BDBM50624184
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C86H124N16O21 1718.029000 |
XVIHVXMWBXWGEA-DFBULROASA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50624184
|
Local ready
Direct docking supported
|
|
E3L063668
BDB063668
|
BDBM50624185
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C82H117N15O19 1616.924000 |
ALZYGOCWUAGMMY-BRNADKDGSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50624185
|
Local ready
Direct docking supported
|
|
E3L063669
BDB063669
|
BDBM50624186
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O
|
C81H115N17O17 1598.913000 |
YFXWHQMBVPZJBJ-MPGNVRTMSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50624186
|
Local ready
Direct docking supported
|
|
E3L063670
BDB063670
|
BDBM50624748
Oc1cc(O)cc(/C=C/c2cc(-c3ccoc3)ccc2O)c1
|
C18H14O4 294.306000 |
RQYRGOGJQLBVAY-OWOJBTEDSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50624748; PubChem:CID172465979
|
Local ready
Direct docking supported
|
|
E3L063671
BDB063671
|
Anticancer agent 126
Cc1cc(=O)c(C(=O)NCc2c(F)cc(-c3cccc(S(=O)(=O)F)c3)cc2F)nn1-c1ccccc1
|
C25H18F3N3O4S 513.497000 |
KCMSIHHWMOTDFN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50625549; PubChem:CID170903355
|
Local ready
Direct docking supported
|
|
E3L063672
BDB063672
|
Indeglitazar
COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1
|
C19H19NO6S 389.429000 |
YMPALHOKRBVHOJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50625679; PubChem:CID11395145
|
Local ready
Direct docking supported
|
|
E3L063673
BDB063673
|
BDBM50625680
[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc3c(c2)CCO3)c2ccc(OC)cc12)C(=O)O
|
C20H19NO6S 403.452204 |
MMKWEHLTLWLVDJ-RJSZUWSASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50625680; PubChem:CID172445868
|
Local ready
Direct docking supported
|
|
E3L063674
BDB063674
|
BDBM50625681
[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12)C(=O)O
|
C19H16F3NO6S 445.411204 |
GCVICSIJFQUEIL-KNXIQCGSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50625681; PubChem:CID172462207
|
Local ready
Direct docking supported
|
|
E3L063675
BDB063675
|
BDBM50625682
[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C3CC3)cc12)C(=O)O
|
C21H21NO5S 401.480204 |
QOCJESKTFDEJKQ-ZWGOZCLVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50625682; PubChem:CID172468954
|
Local ready
Direct docking supported
|
|
E3L063676
BDB063676
|
BDBM50625683
[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(C3CC3)cc2)c2ccc(OC)cc12)C(=O)O
|
C21H21NO5S 401.480204 |
ATLBKEBVHANWAR-ZWGOZCLVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50625683; PubChem:CID172450975
|
Local ready
Direct docking supported
|
|
E3L063677
BDB063677
|
BDBM50626155
CCc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C22H25FN6O2 424.480000 |
SBBAABNKJORFCD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626155; PubChem:CID169110636
|
Local ready
Direct docking supported
|
|
E3L063678
BDB063678
|
BDBM50626156
Cc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)cc2[nH]c1=O
|
C23H24F2N6O2 454.481000 |
KPMUGYLNUWRMPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626156; PubChem:CID169110693
|
Local ready
Direct docking supported
|
|
E3L063679
BDB063679
|
BDBM50626157
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4nc(C)c(=O)[nH]c4c3)CC2)c(F)n1
|
C21H22F2N6O2 428.443000 |
VOJTXMNMQJSFMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626157; PubChem:CID169110545
|
Local ready
Direct docking supported
|
|
E3L063680
BDB063680
|
BDBM50626158
CNC(=O)c1ccc(N2CCN(Cc3ccc4cc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C22H23F2N5O2 427.455000 |
KWSQCFXSKGLJCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626158; PubChem:CID169110715
|
Local ready
Direct docking supported
|