| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011121
BDB011121
|
BDBM228600
CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ncccc2C[C@H]1CNC(=O)OCc1ccccc1)C(C)C
|
C25H33N5O4 467.570000 |
CRHVURUHLHTXLH-YYWHXJBOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM228600; PubChem:CID117888639
|
Local ready
Direct docking supported
|
|
E3L011122
BDB011122
|
BDBM228601
CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ncccc2C[C@H]1CNC(=O)Oc1ccccc1)C(C)C
|
C24H31N5O4 453.543000 |
YETRPNDFXWHVDD-QRFRQXIXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM228601; PubChem:CID73777126
|
Local ready
Direct docking supported
|
|
E3L011123
BDB011123
|
BDBM228602
CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ncccc2C[C@H]1CNc1ccccc1)C(C)C
|
C23H31N5O2 409.534000 |
YLJJBQDWLZEISQ-VDGAXYAQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM228602; PubChem:CID73443116
|
Local ready
Direct docking supported
|
|
E3L011124
BDB011124
|
BDBM228603
CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ncccc2C[C@H]1CNc1ccc2ccccc2c1)C(C)C
|
C27H33N5O2 459.594000 |
JYRTVNMQRJKWEK-NWVWQQAFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM228603; PubChem:CID73777128
|
Local ready
Direct docking supported
|
|
E3L011125
BDB011125
|
US9346787, Comparative Example 6
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2C#N)n[nH]1
|
C24H22ClFN6O3 496.930000 |
CTWASZOPAJRLED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM231252; PubChem:CID89793523
|
Local ready
Direct docking supported
|
|
E3L011126
BDB011126
|
BDBM232288
CCc1cc(OCCc2nc(-c3ccc(F)cc3)oc2C)ccc1CCC(=O)O
|
C23H24FNO4 397.446000 |
YFRXOWDDODRUGC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232288; PubChem:CID54769317
|
Local ready
Direct docking supported
|
|
E3L011127
BDB011127
|
BDBM232289
CCc1cc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1CCC(=O)O
|
C23H22F3NO4 433.426000 |
ZSXWRVAUDGQQFR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232289; PubChem:CID54769319
|
Local ready
Direct docking supported
|
|
E3L011128
BDB011128
|
BDBM232290
CCc1cc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)ccc1CCC(=O)O
|
C24H24F3NO4 447.453000 |
IJLBREKYQJAUHT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232290; PubChem:CID54769318
|
Local ready
Direct docking supported
|
|
E3L011129
BDB011129
|
BDBM232291
CCc1cc(OCCc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)ccc1CCC(=O)O
|
C27H33NO4 435.564000 |
JHXSNEXWUYGMLH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232291; PubChem:CID54769543
|
Local ready
Direct docking supported
|
|
E3L011130
BDB011130
|
BDBM232292
CCc1cc(OCCc2nc(-c3ccc(C)cc3)oc2C)ccc1CCC(=O)O
|
C24H27NO4 393.483000 |
PTVFLCJAEFSYPQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232292; PubChem:CID54769542
|
Local ready
Direct docking supported
|
|
E3L011131
BDB011131
|
BDBM232293
CCc1cc(OCCc2nc(-c3ccc(-c4nnn[nH]4)cc3)oc2C)ccc1CCC(=O)O
|
C24H25N5O4 447.495000 |
DGQBUQLAXKXDAW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232293; PubChem:CID54769541
|
Local ready
Direct docking supported
|
|
E3L011132
BDB011132
|
BDBM232294
CCc1cc(OCCc2nc(-c3ccc([N+](=O)[O-])cc3)oc2C)ncc1CCC(=O)O
|
C22H23N3O6 425.441000 |
MIXWYACOCUHRBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM232294; PubChem:CID129010536
|
Local ready
Direct docking supported
|
|
E3L011133
BDB011133
|
BDBM232295
CCc1cc(OCCc2nc(-c3ccc(C#N)cc3)oc2C)ncc1CCC(=O)O
|
C23H23N3O4 405.454000 |
WYKMVJDPCICIAZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM232295; PubChem:CID129010537
|
Local ready
Direct docking supported
|
|
E3L011134
BDB011134
|
BDBM232296
CCc1cc(OCCc2nc(-c3ccc(C(N)=O)cc3)oc2C)ncc1CCC(=O)O
|
C23H25N3O5 423.469000 |
PJGWCOSFGHGNHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM232296; PubChem:CID129010538
|
Local ready
Direct docking supported
|
|
E3L011135
BDB011135
|
BDBM233172
CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
|
C26H35NO4 425.569000 |
ZZMUALSHPYLWNI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233172; PubChem:CID129010629
|
Local ready
Direct docking supported
|
|
E3L011136
BDB011136
|
BDBM233173
COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC
|
C22H27NO5 385.460000 |
DZNFOQDUKPGDCI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233173; PubChem:CID129010630
|
Local ready
Direct docking supported
|
|
E3L011137
BDB011137
|
BDBM233174
COC(=O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F
|
C22H24F3NO4 423.431000 |
HCURVAVPCQMCBZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233174; PubChem:CID129010631
|
Local ready
Direct docking supported
|
|
E3L011138
BDB011138
|
8-Hydroxy-8-(2-methoxyquinolin-3-yl)oct-5-ynoic acid
COc1nc2ccccc2cc1C(O)CC#CCCCC(=O)O
|
C18H19NO4 313.353000 |
YUDREWOXBRRJBW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233175; PubChem:CID129010633
|
Local ready
Direct docking supported
|
|
E3L011139
BDB011139
|
8-Hydroxy-8-(2-octoxyquinolin-3-yl)oct-5-ynoic acid
CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)O
|
C25H33NO4 411.542000 |
FCPSFHNACBPQRB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233176; PubChem:CID129010635
|
Local ready
Direct docking supported
|
|
E3L011140
BDB011140
|
BDBM233177
COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)O
|
C21H25NO5 371.433000 |
QJUSXQRIWOVJDB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233177; PubChem:CID129010637
|
Local ready
Direct docking supported
|