| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048021
BDB048021
|
BDBM50193741
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(OC(F)(F)F)c1
|
C24H16F6N2O4S 542.457000 |
MVMATXNFISADDB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193741; PubChem:CID44419366
|
Local ready
Direct docking supported
|
|
E3L048022
BDB048022
|
BDBM50193742
O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C24H16F6N2O3S 526.458000 |
RYZBTWSMNGDKFD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193742; PubChem:CID44419356
|
Local ready
Direct docking supported
|
|
E3L048023
BDB048023
|
BDBM50193743
Cc1ccccc1S(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C24H19F3N2O3S 472.488000 |
OHMJZCGIBUMEFW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193743; PubChem:CID44419354
|
Local ready
Direct docking supported
|
|
E3L048024
BDB048024
|
BDBM50193744
COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccc(F)cc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
|
C30H22F4N2O4S 582.575000 |
AOVDRHLXGSLJQB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193744; PubChem:CID44419390
|
Local ready
Direct docking supported
|
|
E3L048025
BDB048025
|
BDBM50193745
O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C23H16ClF3N2O3S 492.906000 |
ZIWNJNJFRHLMPU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193745; PubChem:CID44419349
|
Local ready
Direct docking supported
|
|
E3L048026
BDB048026
|
BDBM50193746
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cc(Cl)ccc1Cl
|
C23H15Cl2F3N2O3S 527.351000 |
VFLGTYZQDWVTJQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193746; PubChem:CID44419385
|
Local ready
Direct docking supported
|
|
E3L048027
BDB048027
|
BDBM50193747
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2n1Cc1cccc(C(F)(F)F)c1
|
C24H15ClF6N2O3S 560.903000 |
DNNMEFZUNUOJKX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193747; PubChem:CID44419387
|
Local ready
Direct docking supported
|
|
E3L048028
BDB048028
|
BDBM50193748
COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccccc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
|
C30H23F3N2O4S 564.585000 |
BCPFCXDCWUXOGT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193748; PubChem:CID9549238
|
Local ready
Direct docking supported
|
|
E3L048029
BDB048029
|
BDBM50193749
CCn1c(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc2ccccc21
|
C18H15F3N2O3S 396.390000 |
DNCDFCDIVSCBJE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193749; PubChem:CID44419372
|
Local ready
Direct docking supported
|
|
E3L048030
BDB048030
|
BDBM50193750
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C24H16F6N2O3S 526.458000 |
BNRJBWWXERRJDS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193750; PubChem:CID44419352
|
Local ready
Direct docking supported
|
|
E3L048031
BDB048031
|
BDBM50193751
COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccccc3C)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
|
C31H25F3N2O4S 578.612000 |
GIJPWVGTDPKGSQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193751; PubChem:CID44419391
|
Local ready
Direct docking supported
|
|
E3L048032
BDB048032
|
BDBM50193752
O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C27H19F3N2O3S 508.521000 |
RSDUQVSYQVYCFK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193752; PubChem:CID44419355
|
Local ready
Direct docking supported
|
|
E3L048033
BDB048033
|
BDBM50193753
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(O)ccc2n1Cc1cccc(C(F)(F)F)c1
|
C24H16F6N2O4S 542.457000 |
FULJHRGKUUCMCU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193753; PubChem:CID44419389
|
Local ready
Direct docking supported
|
|
E3L048034
BDB048034
|
BDBM50193754
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1ccccc1
|
C23H17F3N2O3S 458.461000 |
LJGDCLTTWGLBPY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193754; PubChem:CID44419382
|
Local ready
Direct docking supported
|
|
E3L048035
BDB048035
|
BDBM50193755
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1C(=O)c1cccc(C(F)(F)F)c1
|
C24H14F6N2O4S 540.441000 |
FKYDJAOVILKJTE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193755; PubChem:CID44419369
|
Local ready
Direct docking supported
|
|
E3L048036
BDB048036
|
Tofacitinib
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
|
C16H20N6O 312.377000 |
UJLAWZDWDVHWOW-YPMHNXCESA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50193995; PubChem:CID9926791
|
Local ready
Direct docking supported
|
|
E3L048037
BDB048037
|
BDBM50194024
CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O
|
C19H20N4O3S 384.461000 |
QDWSVWMOWVHELW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50194024; PubChem:CID44417767
|
Local ready
Direct docking supported
|
|
E3L048038
BDB048038
|
Bz-Gly-Phe-Ala-Leu-Nle(pyrrolidino)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C41H59N7O9 793.963000 |
BJDMYPKFPNBDRV-KMACTHOASA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194249; PubChem:CID134145347
|
Local ready
Direct docking supported
|
|
E3L048039
BDB048039
|
Bz-Gly-Phe-Ala-Leu-Nle(azepan-1-yl)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C43H63N7O9 822.017000 |
IAUNQJODSCIDIR-WMUVQLMLSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194250; PubChem:CID134157587
|
Local ready
Direct docking supported
|
|
E3L048040
BDB048040
|
BDBM50194251
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C45H65N7O9 848.055000 |
YPECSSKXTKAOSG-WULLJDQYSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194251
|
Local ready
Direct docking supported
|