| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001321
BDB001321
|
BDBM30768
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21
|
C20H27N5O2 369.469000 |
FAZAOASEFRPREN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM30768; PubChem:CID663108
|
Local ready
Direct docking supported
|
|
E3L001322
BDB001322
|
BDBM30771
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1CCCN1CCOCC1
|
C26H28N6O4 488.548000 |
NRVYOMDZKFIHNC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM30771; PubChem:CID663945
|
Local ready
Direct docking supported
|
|
E3L001323
BDB001323
|
BDBM31072
O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21
|
C16H10N2O3S2 342.401000 |
RGXPNQXTNFLPRE-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM31072; PubChem:CID890649
|
Local ready
Direct docking supported
|
|
E3L001324
BDB001324
|
Ast-487
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
|
C26H30F3N7O2 529.567000 |
ODPGGGTTYSGTGO-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM31085; PubChem:CID11409972
|
Local ready
Direct docking supported
|
|
E3L001325
BDB001325
|
Raf265
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21
|
C24H16F6N6O 518.421000 |
YABJJWZLRMPFSI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM31088; PubChem:CID11656518
|
Local ready
Direct docking supported
|
|
E3L001326
BDB001326
|
Mln8054
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1
|
C25H15ClF2N4O2 476.870000 |
HHFBDROWDBDFBR-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM31093; PubChem:CID11712649
|
Local ready
Direct docking supported
|
|
E3L001327
BDB001327
|
BDBM31094
CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C35H30N4O4 570.649000 |
BMGQWWVMWDBQGC-PZFYLCKJSA-N | O14965, O95835 | Serine/threonine-protein kinase LATS1, Aurora kinase A |
BindingDB
BindingDB:BDBM31094
|
Local ready
Direct docking supported
|
|
E3L001328
BDB001328
|
Su-14813
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
|
C23H27FN4O4 442.491000 |
CTNPALGJUAXMMC-PMFHANACSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM31095; PubChem:CID10138259
|
Local ready
Direct docking supported
|
|
E3L001329
BDB001329
|
(-)-Staurosporine
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C28H26N4O3 466.541000 |
HKSZLNNOFSGOKW-HMWZOHBLSA-N | O14965, O95835 | Aurora kinase A, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM31096; PubChem:CID451705
|
Local ready
Direct docking supported
|
|
E3L001330
BDB001330
|
Spiro-oxindole, 1
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1
|
C25H29Cl2N3O2 474.432000 |
XTJVNDMNVIYGHY-QDMVCWPOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31196; PubChem:CID11351960
|
Local ready
Direct docking supported
|
|
E3L001331
BDB001331
|
Spiro-oxindole, 4
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C29H36Cl2N4O3 559.538000 |
GXAPJIXXSLQQBJ-ZTVFFDQVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31198; PubChem:CID11512421
|
Local ready
Direct docking supported
|
|
E3L001332
BDB001332
|
Spiro-oxindole, 5
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C25H28Cl2FN3O2 492.422000 |
LPOGIWGZPDTWLX-NTWACIBNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31199; PubChem:CID11526064
|
Local ready
Direct docking supported
|
|
E3L001333
BDB001333
|
Spiro-oxindole, 6
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccc(F)c(Cl)c1
|
C25H28Cl2FN3O2 492.422000 |
XUULIKWQEKBINA-QDMVCWPOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31200; PubChem:CID11663211
|
Local ready
Direct docking supported
|
|
E3L001334
BDB001334
|
Spiro-oxindole, 7
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(F)cc(Cl)c1
|
C25H28Cl2FN3O2 492.422000 |
FHATUCFTBPTWGI-QDMVCWPOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31201; PubChem:CID11620161
|
Local ready
Direct docking supported
|
|
E3L001335
BDB001335
|
BDBM31202
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C29H35Cl2FN4O3 577.528000 |
YTBYOWZWBDYLQF-BGLPIVGWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM31202
|
Local ready
Direct docking supported
|
|
E3L001336
BDB001336
|
Spiro-oxindole, 9
CC(C)(C)C[C@@H]1N[C@H](C(=O)NCCN2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C29H35Cl2FN4O3 577.528000 |
YTBYOWZWBDYLQF-MHGRFWDASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31203; PubChem:CID11621174
|
Local ready
Direct docking supported
|
|
E3L001337
BDB001337
|
Spiro-oxindole, 10
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C30H37Cl2FN4O2 575.556000 |
FFQBAPRTDPSSEL-HVHHDALESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31204; PubChem:CID11541499
|
Local ready
Direct docking supported
|
|
E3L001338
BDB001338
|
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
Cc1ccc2ccc(C(Nc3ccccc3)c3ccccc3)c(O)c2n1
|
C23H20N2O 340.426000 |
WEENRMPCSWFMTE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31206; PubChem:CID248986
|
Local ready
Direct docking supported
|
|
E3L001339
BDB001339
|
2-phenoxybenzoyltryptophan derivative, R1C1
O=C(N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O)c1ccccc1Oc1ccccc1
|
C24H19BrN2O4 479.330000 |
HUDCALMNDNWXIH-NRFANRHFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31207; PubChem:CID44176142
|
Local ready
Direct docking supported
|
|
E3L001340
BDB001340
|
2-phenoxybenzoyltryptophan derivative, R1C2
O=C(N[C@@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Br)ccc12)C(=O)O)c1ccccc1Oc1ccccc1
|
C32H31BrN2O5 603.513000 |
IEPYWKFTLZZZMO-MHZLTWQESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31208; PubChem:CID44176143
|
Local ready
Direct docking supported
|