| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048721
BDB048721
|
BDBM50215720
COc1cc(C2NC(=O)N=C(C)C2C(=O)O)ccc1OCCOc1cc(C)nc2ccccc12
|
C25H25N3O6 463.490000 |
COGQMHZMBKQAIC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215720; PubChem:CID91935985
|
Local ready
Direct docking supported
|
|
E3L048722
BDB048722
|
BDBM50215721
CC1=NC(=O)NC(c2ccc(OCCCOc3cccc4[nH]c5ccccc5c34)cc2)C1C(=O)O
|
C27H25N3O5 471.513000 |
OKWWNBFIXIJHPT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215721; PubChem:CID91935986
|
Local ready
Direct docking supported
|
|
E3L048723
BDB048723
|
BDBM50215722
CC1=NC(=O)NC(c2ccc(OCCCn3ccc4cccnc43)cc2)C1C(=O)O
|
C22H22N4O4 406.442000 |
XOWRIJBFLKXLRJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215722; PubChem:CID91935987
|
Local ready
Direct docking supported
|
|
E3L048724
BDB048724
|
BDBM50215723
CC1=NC(=O)NC(c2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)C1C(=O)O
|
C26H23N3O5 457.486000 |
BZVMWIDZSUXMLN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215723; PubChem:CID91935988
|
Local ready
Direct docking supported
|
|
E3L048725
BDB048725
|
BDBM50215724
CC1=NC(=O)NC(c2ccc(OCCn3ccc4cccnc43)cc2)C1C(=O)O
|
C21H20N4O4 392.415000 |
KSMZYXUDMFKJJQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215724; PubChem:CID91935989
|
Local ready
Direct docking supported
|
|
E3L048726
BDB048726
|
BDBM50215725
CC1=NC(=O)NC(c2ccc(OCCOc3cc(C)nc4ccccc34)cc2)C1C(=O)O
|
C24H23N3O5 433.464000 |
DEXUEAINHVVMAR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215725; PubChem:CID91935990
|
Local ready
Direct docking supported
|
|
E3L048727
BDB048727
|
BDBM50215726
CC1=NC(=O)NC(c2ccc(OCCn3c4ccccc4c4ccccc43)cc2)C1C(=O)O
|
C26H23N3O4 441.487000 |
XFEHPTNUXZBTML-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215726; PubChem:CID91935991
|
Local ready
Direct docking supported
|
|
E3L048728
BDB048728
|
BDBM50215727
CC1=NC(=O)NC(c2ccc(OCCCOc3cc(C)nc4ccccc34)cc2)C1C(=O)O
|
C25H25N3O5 447.491000 |
CEAPOXDTZKEKFC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215727; PubChem:CID91935992
|
Local ready
Direct docking supported
|
|
E3L048729
BDB048729
|
BDBM50215728
COc1cc(C2NC(=O)N=C(C)C2C(=O)O)ccc1OCCn1c2ccccc2c2ccccc21
|
C27H25N3O5 471.513000 |
JUIFUQDVLAHWHY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215728; PubChem:CID91935993
|
Local ready
Direct docking supported
|
|
E3L048730
BDB048730
|
BDBM50215729
COc1cc(C2NC(=O)N=C(C)C2C(=O)O)ccc1OCCn1ccc2cccnc21
|
C22H22N4O5 422.441000 |
KXPPRGXPVQBOIO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215729; PubChem:CID91935994
|
Local ready
Direct docking supported
|
|
E3L048731
BDB048731
|
BDBM50215730
CC1=NC(=O)NC(c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)C1C(=O)O
|
C27H23ClN2O6 506.942000 |
YMHPMAMPMLUCGB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215730; PubChem:CID91935995
|
Local ready
Direct docking supported
|
|
E3L048732
BDB048732
|
BDBM50215731
COc1cccc2c1c1ccccc1n2CCOc1ccc(C2NC(=O)N=C(C)C2C(=O)O)cc1
|
C27H25N3O5 471.513000 |
CGZHUYAGSGSRRT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215731; PubChem:CID91935996
|
Local ready
Direct docking supported
|
|
E3L048733
BDB048733
|
BDBM50215732
COc1cc(C2NC(=O)N=C(C)C2C(=O)O)ccc1OCCOc1cccc2ccc(C)nc12
|
C25H25N3O6 463.490000 |
OPRTUTUVEMXUMG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215732; PubChem:CID91935997
|
Local ready
Direct docking supported
|
|
E3L048734
BDB048734
|
BDBM50215733
CC1=NC(=O)NC(c2ccc(OCCOc3cccc4ccc(C)nc34)cc2)C1C(=O)O
|
C24H23N3O5 433.464000 |
RTUQYAJUQMFYDS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50215733; PubChem:CID91935998
|
Local ready
Direct docking supported
|
|
E3L048735
BDB048735
|
BDBM50215745
CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
|
C21H20N6O2 388.431000 |
TYNOFSAXDJGXIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215745; PubChem:CID136346481
|
Local ready
Direct docking supported
|
|
E3L048736
BDB048736
|
BDBM50215746
COc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1
|
C19H17N5O2 347.378000 |
USLJLFIVPBIWSH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215746; PubChem:CID136624263
|
Local ready
Direct docking supported
|
|
E3L048737
BDB048737
|
BDBM50215747
COc1ccc2nc(-c3n[nH]cc3C=Cc3cncc(C#N)c3)[nH]c2c1
|
C19H14N6O 342.362000 |
KKTHQEGRHGWTAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215747; PubChem:CID136600622
|
Local ready
Direct docking supported
|
|
E3L048738
BDB048738
|
BDBM50215748
CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc(C(F)(F)F)[nH]2)c1
|
C17H17F3N6 362.359000 |
KQMUZJKDXSIZDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215748; PubChem:CID136636138
|
Local ready
Direct docking supported
|
|
E3L048739
BDB048739
|
BDBM50215749
FC(F)(F)c1cnc(-c2n[nH]cc2C=Cc2cncc3ccccc23)[nH]1
|
C18H12F3N5 355.323000 |
FVEOSFBMLSDRHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215749; PubChem:CID136638036
|
Local ready
Direct docking supported
|
|
E3L048740
BDB048740
|
BDBM50215750
COc1ccc2nc(-c3n[nH]cc3C=Cc3cccnc3)[nH]c2c1
|
C18H15N5O 317.352000 |
WENOTWRMBOBLIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50215750; PubChem:CID136498498
|
Local ready
Direct docking supported
|