| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058941
BDB058941
|
BDBM50519660
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(N)=O
|
C143H237N57O33 3282.835000 |
GJGNDDWMLORZOP-LIOUBMQXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50519660
|
Local ready
Direct docking supported
|
|
E3L058942
BDB058942
|
BDBM50519662
CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1
|
C26H23N3O5 457.486000 |
WVGDUQVQWLHVEA-UHFFFAOYSA-N | P51617, P51948, Q92630 | Interleukin-1 receptor-associated kinase 1, Cyclin-H, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50519662
|
Local ready
Direct docking supported
|
|
E3L058943
BDB058943
|
BDBM50519878
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C24H16ClF3N2O3 472.850000 |
BXVBWCPVLXIIHX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519878; PubChem:CID154649073
|
Local ready
Direct docking supported
|
|
E3L058944
BDB058944
|
BDBM50519879
O=C(O)Cc1ccc(NC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C25H16ClF3N2O4 500.860000 |
QHVJNXDWWWVMAJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519879; PubChem:CID155561084
|
Local ready
Direct docking supported
|
|
E3L058945
BDB058945
|
BDBM50519880
Cc1onc(-c2c(Cl)cccc2C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)cc1
|
C19H12ClF3N2O4 424.762000 |
YEPQOFBDMBVDLQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519880; PubChem:CID155541575
|
Local ready
Direct docking supported
|
|
E3L058946
BDB058946
|
BDBM50519881
Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(Cl)cccc1Cl
|
C20H12Cl2N2O3S 431.300000 |
LDKVVDVRWBVBGM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519881; PubChem:CID90466288
|
Local ready
Direct docking supported
|
|
E3L058947
BDB058947
|
BDBM50519882
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cccc(O)c2)cc1
|
C24H16ClF3N2O4 488.849000 |
CHHBYHCOKFQFSF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519882; PubChem:CID154649065
|
Local ready
Direct docking supported
|
|
E3L058948
BDB058948
|
BDBM50519883
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1
|
C22H15ClF3N3O3 461.827000 |
KGEONJPJJNFHOI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519883; PubChem:CID145714275
|
Local ready
Direct docking supported
|
|
E3L058949
BDB058949
|
BDBM50519884
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cccs2)cc1
|
C22H14ClF3N2O3S 478.879000 |
OYQVVGFWCTZBLC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519884; PubChem:CID154649070
|
Local ready
Direct docking supported
|
|
E3L058950
BDB058950
|
BDBM50519885
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccco2)cc1
|
C22H14ClF3N2O4 462.811000 |
KGDXXEJWJHMLSL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519885; PubChem:CID154649064
|
Local ready
Direct docking supported
|
|
E3L058951
BDB058951
|
BDBM50519886
O=C(O)c1ccc(CNc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C24H16ClF3N2O3 472.850000 |
DCHBNTMKXFYQGD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519886; PubChem:CID154649067
|
Local ready
Direct docking supported
|
|
E3L058952
BDB058952
|
BDBM50519887
O=C(O)c1ccc(C(=O)Nc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C24H14ClF3N2O4 486.833000 |
SPABLARDNITSNY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519887; PubChem:CID155525533
|
Local ready
Direct docking supported
|
|
E3L058953
BDB058953
|
BDBM50519888
O=C(O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C24H14ClF3N2O4 486.833000 |
ILLMNAGNYOABKH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519888; PubChem:CID155517084
|
Local ready
Direct docking supported
|
|
E3L058954
BDB058954
|
BDBM50519889
CC(C)(C)OC(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C28H22ClF3N2O4 542.941000 |
QKYNQIMGGOSFRD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519889; PubChem:CID155532294
|
Local ready
Direct docking supported
|
|
E3L058955
BDB058955
|
BDBM50519890
O=C(O)c1cccc(NC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)c1
|
C24H14ClF3N2O4 486.833000 |
SBNQOEUPVOQHNU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519890; PubChem:CID155523351
|
Local ready
Direct docking supported
|
|
E3L058956
BDB058956
|
BDBM50519891
O=C(O)c1ccc(CNC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C25H16ClF3N2O4 500.860000 |
RMGQJCNBTIGHCZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519891; PubChem:CID155523070
|
Local ready
Direct docking supported
|
|
E3L058957
BDB058957
|
BDBM50519892
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cccc3ccccc23)cc1
|
C28H18ClF3N2O3 522.910000 |
DMVADCNPPAGEPV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519892; PubChem:CID154649071
|
Local ready
Direct docking supported
|
|
E3L058958
BDB058958
|
BDBM50519893
O=C(O)c1ccc(S(=O)(=O)Nc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1
|
C23H14ClF3N2O5S 522.888000 |
CDCORNBNDPJXBY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519893; PubChem:CID155007664
|
Local ready
Direct docking supported
|
|
E3L058959
BDB058959
|
BDBM50519894
O=C(O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccccc2)cc1F
|
C24H13ClF4N2O4 504.823000 |
WDXZPHIWIHOUMB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519894; PubChem:CID155512000
|
Local ready
Direct docking supported
|
|
E3L058960
BDB058960
|
BDBM50519895
O=C(O)c1c(-c2c(Cl)cccc2C(F)(F)F)noc1-c1ccccc1
|
C17H9ClF3NO3 367.710000 |
JCFDKQYRWFJDNW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50519895; PubChem:CID155491026
|
Local ready
Direct docking supported
|