| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048821
BDB048821
|
BDBM50217863
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C29H29NO4 455.554000 |
ICVLCCAYGDMLCQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217863
|
Local ready
Direct docking supported
|
|
E3L048822
BDB048822
|
BDBM50217864
COC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
|
C24H26N2O5 422.481000 |
HLZHFYOVRWUAMQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217864
|
Local ready
Direct docking supported
|
|
E3L048823
BDB048823
|
BDBM50217865
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C27H25NO4 427.500000 |
DIOHVXFVUSNWHS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217865
|
Local ready
Direct docking supported
|
|
E3L048824
BDB048824
|
BDBM50217866
C[N+](=O)[c-]1c(C(=O)NC2CC2)c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
|
C26H29N3O4 447.535000 |
HNGMJPXPBDKFKR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217866
|
Local ready
Direct docking supported
|
|
E3L048825
BDB048825
|
BDBM50217867
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
|
C25H28N2O5 436.508000 |
IPMKXUPPEBQHQL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217867
|
Local ready
Direct docking supported
|
|
E3L048826
BDB048826
|
BDBM50217868
CCOC(=O)c1c(-c2ccc3c(c2)OCO3)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C29H27NO6 485.536000 |
RLCGQWZKSYOBHP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217868
|
Local ready
Direct docking supported
|
|
E3L048827
BDB048827
|
BDBM50217869
CCOC(=O)c1c(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C27H33NO4 435.564000 |
PMYYIXYOXRQKDF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217869
|
Local ready
Direct docking supported
|
|
E3L048828
BDB048828
|
BDBM50217870
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)CC
|
C21H21NO4 351.402000 |
VXGHOKQYVZPDMX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217870
|
Local ready
Direct docking supported
|
|
E3L048829
BDB048829
|
BDBM50217871
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN(C)C3CCCCC3)cc2[c-]1[N+](C)=O
|
C28H34N2O4 462.590000 |
XUIDXHPWCWANDZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217871
|
Local ready
Direct docking supported
|
|
E3L048830
BDB048830
|
BDBM50217872
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC
|
C20H19NO4 337.375000 |
PWBITTVWPSCIIC-XUTLUUPISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217872; PubChem:CID44443517
|
Local ready
Direct docking supported
|
|
E3L048831
BDB048831
|
BDBM50217874
CC(C)NC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
|
C26H31N3O4 449.551000 |
PABDRXDANVHXTC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217874
|
Local ready
Direct docking supported
|
|
E3L048832
BDB048832
|
BDBM50217875
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCc3ccccn3)cc2[c-]1[N+](C)=O
|
C25H22N2O4 414.461000 |
DQONEIMWVVMFBU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217875
|
Local ready
Direct docking supported
|
|
E3L048833
BDB048833
|
BDBM50217876
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCc3ccccn3)cc2[c-]1[N+](C)=O
|
C26H24N2O4 428.488000 |
ZLSVJOBNLADCBL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217876
|
Local ready
Direct docking supported
|
|
E3L048834
BDB048834
|
BDBM50217877
CCOC(=O)c1c(CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C24H27NO4 393.483000 |
AWXDDUOJJDJOJB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217877
|
Local ready
Direct docking supported
|
|
E3L048835
BDB048835
|
BDBM50217878
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc2[c-]1[N+](C)=O
|
C26H31N3O4 449.551000 |
FZMNVKASGCNVIQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217878
|
Local ready
Direct docking supported
|
|
E3L048836
BDB048836
|
BDBM50217879
CCOC(=O)c1c(-c2ccc(C)cc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C29H29NO4 455.554000 |
WARCQRUDTKMDFQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217879
|
Local ready
Direct docking supported
|
|
E3L048837
BDB048837
|
BDBM50218886
CC(=O)ON=C1C(=C2C(=O)Nc3c(Cl)cccc32)Nc2ccccc21
|
C18H12ClN3O3 353.765000 |
LBYSQHLOHIZNJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218886
|
Local ready
Direct docking supported
|
|
E3L048838
BDB048838
|
BDBM50218887
CO/N=C1\C(=C2\C(=O)Nc3c(Cl)cccc32)Nc2ccccc21
|
C17H12ClN3O2 325.755000 |
KGGUWCRKBQMNMR-SYYABDKXSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218887
|
Local ready
Direct docking supported
|
|
E3L048839
BDB048839
|
BDBM50218891
CC(=O)ON=C1C(=C2C(=O)Nc3c(I)cccc32)Nc2ccccc21
|
C18H12IN3O3 445.216000 |
AZLQEBOVOFBYGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218891
|
Local ready
Direct docking supported
|
|
E3L048840
BDB048840
|
BDBM50218897
CC(=O)ON=C1C(=C2C(=O)Nc3c(Br)cccc32)Nc2ccccc21
|
C18H12BrN3O3 398.216000 |
GSXNABRCKCRBSO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218897
|
Local ready
Direct docking supported
|