| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048741
BDB048741
|
BDBM50215751
N#Cc1cnc(-c2n[nH]cc2C=Cc2cccnc2)[nH]1
|
C14H10N6 262.276000 |
QJUNJGLRELVJKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215751; PubChem:CID136348814
|
Local ready
Direct docking supported
|
|
E3L048742
BDB048742
|
BDBM50215752
CN1CCN(c2ccc3nc(-c4n[nH]cc4C=Cc4cccnc4)[nH]c3c2)CC1
|
C22H23N7 385.475000 |
LTPJBJXFWRHNJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215752; PubChem:CID136653841
|
Local ready
Direct docking supported
|
|
E3L048743
BDB048743
|
BDBM50215753
CCNCc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
|
C21H22N6O 374.448000 |
UGFPMKJYLKNPOF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215753; PubChem:CID136346442
|
Local ready
Direct docking supported
|
|
E3L048744
BDB048744
|
BDBM50215754
COc1ccc2nc(-c3n[nH]cc3C=Cc3cncc4ccccc34)[nH]c2c1
|
C22H17N5O 367.412000 |
FCHLWRKNJFORCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215754; PubChem:CID136504338
|
Local ready
Direct docking supported
|
|
E3L048745
BDB048745
|
BDBM50215755
COC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
|
C20H17N5O3 375.388000 |
DPLYRWPGMCSKLU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215755; PubChem:CID136594579
|
Local ready
Direct docking supported
|
|
E3L048746
BDB048746
|
BDBM50215756
COc1ccc2nc(-c3n[nH]cc3C=Cc3cnccc3C)[nH]c2c1
|
C19H17N5O 331.379000 |
WZMDQWFGHYPLKD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215756; PubChem:CID136646094
|
Local ready
Direct docking supported
|
|
E3L048747
BDB048747
|
BDBM50215757
FC(F)(F)c1cnc(-c2n[nH]cc2C=Cc2cccnc2)[nH]1
|
C14H10F3N5 305.263000 |
OKRLCDNMDXJZIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215757; PubChem:CID136348815
|
Local ready
Direct docking supported
|
|
E3L048748
BDB048748
|
BDBM50216502
CCOC(=O)C1C(C)=NC(=S)NC1c1cccc(O)c1
|
C14H16N2O3S 292.360000 |
PSKVISJISBFCKP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50216502; PubChem:CID76506352
|
Local ready
Direct docking supported
|
|
E3L048749
BDB048749
|
BDBM50216932
Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C23H22ClNO4 411.885000 |
KXYXNNFLDNTKIO-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216932; PubChem:CID10223369
|
Local ready
Direct docking supported
|
|
E3L048750
BDB048750
|
BDBM50216933
Cc1sc(-c2cccc(C(F)(F)F)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C24H22F3NO3S 461.505000 |
YXVVWAPGKSBKPP-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216933; PubChem:CID44442460
|
Local ready
Direct docking supported
|
|
E3L048751
BDB048751
|
BDBM50216934
Cc1oc(-c2cccc(F)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C23H22FNO4 395.430000 |
FRGLCFAIHKWDMD-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50216934; PubChem:CID44442447
|
Local ready
Direct docking supported
|
|
E3L048752
BDB048752
|
BDBM50216935
Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)C(C)(C)CC2CC(=O)O
|
C25H27NO4 405.494000 |
FFXCXZVCRKXCQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216935; PubChem:CID10409008
|
Local ready
Direct docking supported
|
|
E3L048753
BDB048753
|
BDBM50216936
CCc1ccc(-c2nc(C)c(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2C)cc1
|
C26H30N2O3 418.537000 |
RNVUYHUTJDDRFV-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50216936; PubChem:CID44442465
|
Local ready
Direct docking supported
|
|
E3L048754
BDB048754
|
BDBM50216937
Cc1sc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C23H22ClNO3S 427.953000 |
UJDDWJUBSHPYPF-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216937; PubChem:CID44442457
|
Local ready
Direct docking supported
|
|
E3L048755
BDB048755
|
BDBM50216938
COc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)n2C)cc1
|
C25H28N2O4 420.509000 |
CFEKPKAHLOVZCY-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216938; PubChem:CID44442468
|
Local ready
Direct docking supported
|
|
E3L048756
BDB048756
|
BDBM50216939
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C29H27NO4 453.538000 |
ZSVSTRYAMXEELD-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216939; PubChem:CID23657636
|
Local ready
Direct docking supported
|
|
E3L048757
BDB048757
|
BDBM50216940
Cc1sc(-c2ccc3c(c2)OCO3)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C24H23NO5S 437.517000 |
QTKSWOKSGQHQID-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216940; PubChem:CID10288123
|
Local ready
Direct docking supported
|
|
E3L048758
BDB048758
|
BDBM50216941
Cc1oc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C26H29NO4 419.521000 |
ZVKCGJDKSRZKNP-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216941; PubChem:CID44442446
|
Local ready
Direct docking supported
|
|
E3L048759
BDB048759
|
BDBM50216942
COc1cccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)s2)c1
|
C24H25NO4S 423.534000 |
KFYKKFAJLZQOQO-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216942; PubChem:CID44442453
|
Local ready
Direct docking supported
|
|
E3L048760
BDB048760
|
BDBM50216943
Cc1sc(-c2cccc(F)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O
|
C23H22FNO3S 411.498000 |
QMNRUMKJGBLTDR-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50216943; PubChem:CID44442455
|
Local ready
Direct docking supported
|