| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052581
BDB052581
|
BDBM50322683
CSc1nc(Nc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C19H17N3O2S2 383.498000 |
OYDMEZPHHQQRPV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322683; PubChem:CID46854264
|
Local ready
Direct docking supported
|
|
E3L052582
BDB052582
|
BDBM50322684
CSc1nc(NCCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C21H21N3O2S2 411.552000 |
OVKYMGOJMAJVRA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322684; PubChem:CID46854265
|
Local ready
Direct docking supported
|
|
E3L052583
BDB052583
|
BDBM50322685
CSc1nc(NCc2ccccn2)c(C(=O)O)c(SCc2ccccc2)n1
|
C19H18N4O2S2 398.513000 |
PEJJGSSYYBUYSM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322685; PubChem:CID46854432
|
Local ready
Direct docking supported
|
|
E3L052584
BDB052584
|
BDBM50322686
CSc1nc(NCc2cccnc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C19H18N4O2S2 398.513000 |
IAWJVKHNXLKFMR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322686; PubChem:CID46854433
|
Local ready
Direct docking supported
|
|
E3L052585
BDB052585
|
BDBM50322687
CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1
|
C20H19ClN4OS 398.919000 |
LSKRIICJSMZULU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322687; PubChem:CID15979459
|
Local ready
Direct docking supported
|
|
E3L052586
BDB052586
|
BDBM50322688
CSc1nc(NCc2ccncc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C19H18N4O2S2 398.513000 |
RXEDZNULEFHWHJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322688; PubChem:CID46854434
|
Local ready
Direct docking supported
|
|
E3L052587
BDB052587
|
BDBM50322689
CNc1nc(SC)nc(SCc2ccccc2)c1C(=O)O
|
C14H15N3O2S2 321.427000 |
ZVLJEBDYJCTFKD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322689; PubChem:CID46854435
|
Local ready
Direct docking supported
|
|
E3L052588
BDB052588
|
BDBM50322690
CCCNc1nc(SC)nc(SCc2ccccc2)c1C(=O)O
|
C16H19N3O2S2 349.481000 |
PMZWGQGBYRSGBC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322690; PubChem:CID46854436
|
Local ready
Direct docking supported
|
|
E3L052589
BDB052589
|
BDBM50322691
CSc1nc(NC2CC2)c(C(=O)O)c(SCc2ccccc2)n1
|
C16H17N3O2S2 347.465000 |
UXZKKCQLIWEHGV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322691; PubChem:CID46854437
|
Local ready
Direct docking supported
|
|
E3L052590
BDB052590
|
BDBM50322692
CSc1nc(NCC2CCCCC2)c(C(=O)O)c(SCc2ccccc2)n1
|
C20H25N3O2S2 403.573000 |
KPBUHTOQTGBQTG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322692; PubChem:CID46854438
|
Local ready
Direct docking supported
|
|
E3L052591
BDB052591
|
BDBM50322693
CSc1nc(NCc2ccccc2)c(C(=O)O)c(OCc2ccccc2)n1
|
C20H19N3O3S 381.457000 |
BFMMKDSEEMJGLQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322693; PubChem:CID46854598
|
Local ready
Direct docking supported
|
|
E3L052592
BDB052592
|
BDBM50322694
CSc1nc(NCc2ccccc2)c(C(=O)O)c(-c2cccs2)n1
|
C17H15N3O2S2 357.460000 |
RABULGLKUWBXPU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322694; PubChem:CID46854747
|
Local ready
Direct docking supported
|
|
E3L052593
BDB052593
|
BDBM50322695
CSc1nc(SCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C20H18N2O2S3 414.577000 |
JQFMWAZMMYZMOM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322695; PubChem:CID16040328
|
Local ready
Direct docking supported
|
|
E3L052594
BDB052594
|
BDBM50322802
c1ccc(-c2oc3ncnc(NCCCn4ccnc4)c3c2-c2ccccc2)cc1
|
C24H21N5O 395.466000 |
UVMQBLBLZBFRRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322802; PubChem:CID3241232
|
Local ready
Direct docking supported
|
|
E3L052595
BDB052595
|
1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol
OC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1
|
C23H21N3O2 371.440000 |
NHIUBUZKCQZTGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322803; PubChem:CID46854894
|
Local ready
Direct docking supported
|
|
E3L052596
BDB052596
|
BDBM50322804
c1ccc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccccc2)cc1
|
C24H24N4O2 400.482000 |
HCVIUTOAKUKQLC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322804; PubChem:CID1251356
|
Local ready
Direct docking supported
|
|
E3L052597
BDB052597
|
BDBM50322805
c1ccc(-c2oc3ncnc(NCCc4cnc[nH]4)c3c2-c2ccccc2)cc1
|
C23H19N5O 381.439000 |
ZESPBXOCDIADDX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322805; PubChem:CID46855041
|
Local ready
Direct docking supported
|
|
E3L052598
BDB052598
|
BDBM50322806
CCOC(=O)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
|
C23H21N3O3 387.439000 |
DYFZERNFYWXNIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322806; PubChem:CID46855042
|
Local ready
Direct docking supported
|
|
E3L052599
BDB052599
|
BDBM50322807
Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C26H22N4O 406.489000 |
BHSCMKZMALDDCF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322807; PubChem:CID46855043
|
Local ready
Direct docking supported
|
|
E3L052600
BDB052600
|
BDBM50322808
C[C@@H](CO)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
|
C21H19N3O2 345.402000 |
MUKXYIDGJCNPIW-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50322808; PubChem:CID46855044
|
Local ready
Direct docking supported
|