| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054661
BDB054661
|
BDBM50383829
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
|
C23H18ClN3O2 403.869000 |
PESBDYLETBKMKX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383829; PubChem:CID1217387
|
Local ready
Direct docking supported
|
|
E3L054662
BDB054662
|
BDBM50383830
CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
|
C24H20ClN3O2 417.896000 |
IGZSIWVDEYTJAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383830; PubChem:CID70694213
|
Local ready
Direct docking supported
|
|
E3L054663
BDB054663
|
3-(4-nitrophenyl)-N,1-diphenylpyrazole-4-carboxamide
O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
|
C22H16N4O3 384.395000 |
HRXLAHOJBWXZSD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383831; PubChem:CID70690000
|
Local ready
Direct docking supported
|
|
E3L054664
BDB054664
|
BDBM50383832
O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
|
C22H15ClN4O3 418.840000 |
VBGIKDNIBYBJCE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383832; PubChem:CID70685852
|
Local ready
Direct docking supported
|
|
E3L054665
BDB054665
|
BDBM50383833
O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
|
C22H15BrN4O3 463.291000 |
ULOFNSCTALRSAB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383833; PubChem:CID70683706
|
Local ready
Direct docking supported
|
|
E3L054666
BDB054666
|
BDBM50383834
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1
|
C23H18N4O4 414.421000 |
SCIAFCLDQIUAHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383834; PubChem:CID70694214
|
Local ready
Direct docking supported
|
|
E3L054667
BDB054667
|
BDBM50383835
CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1
|
C24H20N4O4 428.448000 |
PJAZBLORBOLJEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383835; PubChem:CID60168111
|
Local ready
Direct docking supported
|
|
E3L054668
BDB054668
|
BDBM50383836
CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
|
C25H23N3O2 397.478000 |
TXWUWDXRXZMUPG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383836; PubChem:CID70692158
|
Local ready
Direct docking supported
|
|
E3L054669
BDB054669
|
BDBM50383922
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccccc2)cc1[O]
|
C24H7O2 327.318000 |
QTFHMZJGJAZZTI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50383922
|
Local ready
Direct docking supported
|
|
E3L054670
BDB054670
|
BDBM50383923
[C]Oc1ccc(/[C]=[C]/c2cc([O])c([C]/[C]=C(\[C])[C][C][C]=C([C])[C])c([O])c2)cc1
|
C25H6O3 354.320000 |
CXCXKYRBJXDXMK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383923
|
Local ready
Direct docking supported
|
|
E3L054671
BDB054671
|
BDBM50383924
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc(C(F)(F)F)cc2)cc1[O]
|
C25H6F3O2 395.315000 |
INXFXSFHZZLNPT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50383924
|
Local ready
Direct docking supported
|
|
E3L054672
BDB054672
|
BDBM50383925
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2cccc(C(F)(F)F)c2)cc1[O]
|
C25H6F3O2 395.315000 |
SEXHFOKIBHWUMR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50383925
|
Local ready
Direct docking supported
|
|
E3L054673
BDB054673
|
BDBM50383926
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc(C#N)cc2)cc1[O]
|
C25H6NO2 352.328000 |
OEVKCVUHFLFPJI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383926
|
Local ready
Direct docking supported
|
|
E3L054674
BDB054674
|
BDBM50383927
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc(F)cc2)cc1[O]
|
C24H6FO2 345.308000 |
RYHFBBIRKVSQBK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383927
|
Local ready
Direct docking supported
|
|
E3L054675
BDB054675
|
BDBM50383928
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2cc(F)cc(F)c2)cc1[O]
|
C24H5F2O2 363.298000 |
KKVGBUWFIWEVHQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50383928
|
Local ready
Direct docking supported
|
|
E3L054676
BDB054676
|
BDBM50383929
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc(Cl)cc2)cc1[O]
|
C24H6ClO2 361.763000 |
VSNOWHZUPPADPG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383929
|
Local ready
Direct docking supported
|
|
E3L054677
BDB054677
|
BDBM50383930
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc([O])cc2)cc1[O]
|
C24H6O3 342.309000 |
JGLCQPRRSHGDSX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383930
|
Local ready
Direct docking supported
|
|
E3L054678
BDB054678
|
BDBM50383931
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccoc2)cc1[O]
|
C22H5O3 317.279000 |
CTRVIDTVSVAHGF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383931
|
Local ready
Direct docking supported
|
|
E3L054679
BDB054679
|
BDBM50383932
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccsc2)cc1[O]
|
C22H5O2S 333.347000 |
UEGDGRIYSLXVKH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50383932
|
Local ready
Direct docking supported
|
|
E3L054680
BDB054680
|
BDBM50383933
[C]C([C])=[C][C][C]/C([C])=[C]/[C]c1c([O])cc(/[C]=[C]/c2ccc([C]=O)cc2)cc1[O]
|
C25H6O3 354.320000 |
JGGGQILVVBWSRP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50383933
|
Local ready
Direct docking supported
|