| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044781
BDB044781
|
AS2444697
Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1
|
C19H20N6O4 396.407000 |
JANBIXNDYNRYQP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50040874; PubChem:CID52913874
|
Local ready
Direct docking supported
|
|
E3L044782
BDB044782
|
BDBM50041007
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1
|
C24H17FN2O6S 480.473000 |
RWPIODBMAVXTEP-RGVLZGJSSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50041007; PubChem:CID1232372
|
Local ready
Direct docking supported
|
|
E3L044783
BDB044783
|
BDBM50041008
CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O
|
C25H25NO8S 499.541000 |
MOFZYTWOPPTCMO-DEDYPNTBSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50041008
|
Local ready
Direct docking supported
|
|
E3L044784
BDB044784
|
BDBM50041009
Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CNCc1ccc(OC(C)(C)C(=O)O)cc1
|
C23H23F3N2O3S 464.509000 |
HBCBZGQRHKFODN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50041009; PubChem:CID118720593
|
Local ready
Direct docking supported
|
|
E3L044785
BDB044785
|
BDBM50041024
N[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)[C@H](c1cccc(Cl)c1F)C1C(=O)Nc2cc(Cl)ccc21
|
C23H24Cl2FN3O3 480.367000 |
WGTLDRKPWZCQOK-IMKIIZAHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041024
|
Local ready
Direct docking supported
|
|
E3L044786
BDB044786
|
BDBM50041025
CC1(C)N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C26H28Cl2FN3O3 520.432000 |
OWIHIJVRYXBFOS-MZFOSPSFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041025
|
Local ready
Direct docking supported
|
|
E3L044787
BDB044787
|
BDBM50041031
CCC1(CC)N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
IRTYMVBGDAJRNN-XLKFOPSHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041031
|
Local ready
Direct docking supported
|
|
E3L044788
BDB044788
|
BDBM50041049
CCCC1(CCC)N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C30H36Cl2FN3O3 576.540000 |
NMVGXFVBCZFKAM-WPUIHRAISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041049
|
Local ready
Direct docking supported
|
|
E3L044789
BDB044789
|
BDBM50041056
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H28Cl2FN3O3 532.443000 |
LLFXNWVWHLQBCF-KXQGRALWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041056
|
Local ready
Direct docking supported
|
|
E3L044790
BDB044790
|
BDBM50041072
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H28Cl2FN3O3 532.443000 |
LLFXNWVWHLQBCF-FUSBHDIZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041072
|
Local ready
Direct docking supported
|
|
E3L044791
BDB044791
|
BDBM50041073
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C28H30Cl2FN3O3 546.470000 |
HQXQIUHXDOQUSV-XLKFOPSHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041073
|
Local ready
Direct docking supported
|
|
E3L044792
BDB044792
|
BDBM50041074
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C29H32Cl2FN3O3 560.497000 |
QQOSBFYZJBKRMS-UAKSBLKBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041074
|
Local ready
Direct docking supported
|
|
E3L044793
BDB044793
|
BDBM50041075
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H34Cl2FN3O3 574.524000 |
UVWMOYGSAUBCGS-WPUIHRAISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041075
|
Local ready
Direct docking supported
|
|
E3L044794
BDB044794
|
BDBM50041076
O=C(NCCN1CCOCC1)[C@@H]1NC2(CCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H29Cl2FN4O3 547.458000 |
JGNVPNJDZXCHDI-AIUHUKMKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041076
|
Local ready
Direct docking supported
|
|
E3L044795
BDB044795
|
BDBM50041077
O=C(NCCN1CCOCC1)[C@@H]1NC2(CCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H29Cl2FN4O3 547.458000 |
JGNVPNJDZXCHDI-VBANMALSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041077
|
Local ready
Direct docking supported
|
|
E3L044796
BDB044796
|
BDBM50041078
CCC1(CC)N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C26H30Cl2FN3O4 538.447000 |
NNZUFCOOBFLHAN-RTWSZVFMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50041078; PubChem:CID118720815
|
Local ready
Direct docking supported
|
|
E3L044797
BDB044797
|
BDBM50041079
O=C(NCC[C@H](O)CO)[C@@H]1NC2(CCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C25H26Cl2FN3O4 522.404000 |
IANLOICXMQVYTP-LOWATZNFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041079
|
Local ready
Direct docking supported
|
|
E3L044798
BDB044798
|
BDBM50041080
O=C(NCC[C@H](O)CO)[C@@H]1NC2(CCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C25H26Cl2FN3O4 522.404000 |
IANLOICXMQVYTP-CGGVYCAISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041080
|
Local ready
Direct docking supported
|
|
E3L044799
BDB044799
|
BDBM50041081
O=C(NCC[C@H](O)CO)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H30Cl2FN3O4 550.458000 |
UKYBEEZQFSEMPW-LPJWUPNOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041081
|
Local ready
Direct docking supported
|
|
E3L044800
BDB044800
|
BDBM50041082
CCC1(CC)N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C27H30Cl2FN3O3 534.459000 |
PWUIEMLRTMSOHZ-ULMOUDMBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041082
|
Local ready
Direct docking supported
|