| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052381
BDB052381
|
BDBM50317125
C[C@@H](c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1)N(CC(=O)O)C(=O)Oc1ccccc1
|
C27H23ClN2O6 506.942000 |
FYFCGMAYMIUANE-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317125; PubChem:CID46889046
|
Local ready
Direct docking supported
|
|
E3L052382
BDB052382
|
BDBM50317126
Cc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1
|
C28H25ClN2O6 520.969000 |
YFAZIOINMOYXDH-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317126; PubChem:CID46889047
|
Local ready
Direct docking supported
|
|
E3L052383
BDB052383
|
BDBM50317127
COc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1
|
C28H25ClN2O7 536.968000 |
LLVFTRQDBJZWHC-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317127; PubChem:CID46861800
|
Local ready
Direct docking supported
|
|
E3L052384
BDB052384
|
BDBM50317128
COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)cc1
|
C28H25ClN2O7 536.968000 |
NWBMPYUVBPJUHZ-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317128; PubChem:CID46889072
|
Local ready
Direct docking supported
|
|
E3L052385
BDB052385
|
BDBM50317129
Cc1ccc(F)c(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1
|
C28H24ClFN2O6 538.959000 |
GFPVWKKFLJHIIK-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317129; PubChem:CID46889073
|
Local ready
Direct docking supported
|
|
E3L052386
BDB052386
|
BDBM50317130
COc1cc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)ccc1F
|
C28H24ClFN2O7 554.958000 |
TWMQFZUKMKLRTL-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317130; PubChem:CID46889074
|
Local ready
Direct docking supported
|
|
E3L052387
BDB052387
|
BDBM50317161
O=Nc1c(C2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccc(O)cc12
|
C16H10N4O5 338.279000 |
JXYNXFGCYOMKBF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50317161
|
Local ready
Direct docking supported
|
|
E3L052388
BDB052388
|
BDBM50318061
CNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C18H19N7O 349.398000 |
QXAKKDDDYAESLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318061; PubChem:CID24992862
|
Local ready
Direct docking supported
|
|
E3L052389
BDB052389
|
BDBM50318062
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3F)ncc1CC2
|
C17H15FN6O 338.346000 |
OYDGHJTZNAFKAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318062; PubChem:CID46887070
|
Local ready
Direct docking supported
|
|
E3L052390
BDB052390
|
BDBM50318063
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C23H28N8O2 448.531000 |
JETXRGKNZYUPEF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318063; PubChem:CID46887222
|
Local ready
Direct docking supported
|
|
E3L052391
BDB052391
|
BDBM50318064
CC(=O)Nc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C19H19N7O2 377.408000 |
KNXOPPMRMUDBIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318064; PubChem:CID46887188
|
Local ready
Direct docking supported
|
|
E3L052392
BDB052392
|
BDBM50318065
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2
|
C23H20N6O2 412.453000 |
GYDZFEKAOMUPJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318065; PubChem:CID46887105
|
Local ready
Direct docking supported
|
|
E3L052393
BDB052393
|
BDBM50318066
COC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C19H18N6O3 378.392000 |
IUMSYMLFJDPWFR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318066; PubChem:CID46887101
|
Local ready
Direct docking supported
|
|
E3L052394
BDB052394
|
BDBM50318067
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3S(N)(=O)=O)ncc1CC2
|
C17H17N7O3S 399.436000 |
YLYRUFVSUXSETO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318067; PubChem:CID46887103
|
Local ready
Direct docking supported
|
|
E3L052395
BDB052395
|
BDBM50318068
CC(=O)c1c(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cccc1N1CCN(C)CC1
|
C24H28N8O2 460.542000 |
AWRGMQGBSTVGKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318068; PubChem:CID46887189
|
Local ready
Direct docking supported
|
|
E3L052396
BDB052396
|
BDBM50318069
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3-c3ccccc3)ncc1CC2
|
C23H20N6O 396.454000 |
HHVNOYWPFOOKTR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318069; PubChem:CID46887104
|
Local ready
Direct docking supported
|
|
E3L052397
BDB052397
|
BDBM50318070
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(=O)c3ccccc3)ncc1CC2
|
C24H20N6O2 424.464000 |
NFRDZRLJAHUABL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318070; PubChem:CID46887139
|
Local ready
Direct docking supported
|
|
E3L052398
BDB052398
|
BDBM50318071
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Sc3ccccc3)ncc1CC2
|
C23H20N6OS 428.521000 |
CAYPPMFQINCSKS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318071; PubChem:CID46887140
|
Local ready
Direct docking supported
|
|
E3L052399
BDB052399
|
BDBM50318072
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(N)=O)ncc1CC2
|
C18H17N7O2 363.381000 |
AMVGWQXCPUQNTI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318072; PubChem:CID46887102
|
Local ready
Direct docking supported
|
|
E3L052400
BDB052400
|
BDBM50318073
CC(=O)c1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C24H28N8O2 460.542000 |
BNGFMEOSJHFCLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318073; PubChem:CID46887190
|
Local ready
Direct docking supported
|