| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049761
BDB049761
|
BDBM50248231
COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
|
C23H16ClN3OS 417.921000 |
KLXVOIRVJURYJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248231; PubChem:CID44564863
|
Local ready
Direct docking supported
|
|
E3L049762
BDB049762
|
BDBM50248232
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
|
C21H12Cl2N4S 423.328000 |
JBMGNUFDDDRKSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248232; PubChem:CID44564864
|
Local ready
Direct docking supported
|
|
E3L049763
BDB049763
|
BDBM50248287
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)O)cnn2-c2ccccc2)cc1
|
C29H25N3O4 479.536000 |
GISXEQXUEHYKIK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248287; PubChem:CID44564899
|
Local ready
Direct docking supported
|
|
E3L049764
BDB049764
|
BDBM50248288
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2C(=O)O)c1
|
C28H24N4O4 480.524000 |
LSHQVZFSAXXXRB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248288; PubChem:CID9934858
|
Local ready
Direct docking supported
|
|
E3L049765
BDB049765
|
BDBM50248289
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)O)nnn2-c2ccccc2)c1
|
C28H24N4O4 480.524000 |
MBBAYLYCJKYLOJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248289; PubChem:CID44564900
|
Local ready
Direct docking supported
|
|
E3L049766
BDB049766
|
BDBM50248290
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nnn(-c3ccccc3)c2C(=O)O)c1
|
C28H24N4O4 480.524000 |
NXZRQEGUJLDAQG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248290; PubChem:CID44564901
|
Local ready
Direct docking supported
|
|
E3L049767
BDB049767
|
BDBM50248291
Fc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(Cl)ccc12
|
C21H12ClFN4S 406.873000 |
RKGNVOKYSGKVQZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248291; PubChem:CID44564910
|
Local ready
Direct docking supported
|
|
E3L049768
BDB049768
|
BDBM50248292
Cc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1Cl
|
C22H15ClN4S 402.910000 |
WNODPKRHMJHRHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248292; PubChem:CID44564911
|
Local ready
Direct docking supported
|
|
E3L049769
BDB049769
|
BDBM50248293
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2cc1OC
|
C23H18N4O2S 414.490000 |
CCIYHYFLYIQCJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248293; PubChem:CID16042971
|
Local ready
Direct docking supported
|
|
E3L049770
BDB049770
|
BDBM50248294
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3C)c2cc1OC
|
C24H20N4O2S 428.517000 |
ILOAUSWXRCKWFH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248294; PubChem:CID44156909
|
Local ready
Direct docking supported
|
|
E3L049771
BDB049771
|
BDBM50248343
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2C(=O)O)cc1
|
C28H24N4O4 480.524000 |
QVPWBBCBTGSFHL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248343; PubChem:CID23402832
|
Local ready
Direct docking supported
|
|
E3L049772
BDB049772
|
BDBM50248344
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)O)nnn2-c2ccccc2)cc1
|
C28H24N4O4 480.524000 |
GQIGVMJKZYQSSU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248344; PubChem:CID10227653
|
Local ready
Direct docking supported
|
|
E3L049773
BDB049773
|
BDBM50248345
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nnn(-c3ccccc3)c2C(=O)O)cc1
|
C28H24N4O4 480.524000 |
SBVQOLXKPSHOBM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248345; PubChem:CID44564946
|
Local ready
Direct docking supported
|
|
E3L049774
BDB049774
|
BDBM50248346
Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2C(=O)O)c1
|
C27H22N4O4 466.497000 |
UBPSAUWQNXEZQY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248346; PubChem:CID44564947
|
Local ready
Direct docking supported
|
|
E3L049775
BDB049775
|
BDBM50248348
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC
|
C23H18N4O3S 430.489000 |
MPXQJBIEYPHEBG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248348; PubChem:CID135937899
|
Local ready
Direct docking supported
|
|
E3L049776
BDB049776
|
BDBM50248349
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
|
C24H20N4O3S 444.516000 |
CBIHKNQEUSGCEN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248349; PubChem:CID44156917
|
Local ready
Direct docking supported
|
|
E3L049777
BDB049777
|
BDBM50248350
CNc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc(OC)c(OC)cc2n1
|
C24H21N5O2S 443.532000 |
JMAGQLOPVXHYBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248350; PubChem:CID44564954
|
Local ready
Direct docking supported
|
|
E3L049778
BDB049778
|
BDBM50248351
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2cc1OC
|
C27H23N7O2S 509.595000 |
SAMQZLCXVPNZIG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248351; PubChem:CID44564955
|
Local ready
Direct docking supported
|
|
E3L049779
BDB049779
|
BDBM50248409
Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)O)c1
|
C28H24N4O4 480.524000 |
ZUBODLBPLNYZSJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248409; PubChem:CID44565005
|
Local ready
Direct docking supported
|
|
E3L049780
BDB049780
|
BDBM50248410
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)c1
|
C29H26N4O4 494.551000 |
QIGYDDWEDSMCSH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248410; PubChem:CID23402692
|
Local ready
Direct docking supported
|