| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053261
BDB053261
|
BDBM50343941
CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
|
C17H23N5S 329.473000 |
HMVWSTKBLKPBOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343941; PubChem:CID54583660
|
Local ready
Direct docking supported
|
|
E3L053262
BDB053262
|
BDBM50343942
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
|
C17H23N5OS 345.472000 |
DDUNPQWISLAUDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343942; PubChem:CID54587513
|
Local ready
Direct docking supported
|
|
E3L053263
BDB053263
|
BDBM50343943
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
|
C17H24N6S 344.488000 |
LLPSKEYVKZRCJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343943; PubChem:CID54586483
|
Local ready
Direct docking supported
|
|
E3L053264
BDB053264
|
BDBM50343944
Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1
|
C13H16N6O 272.312000 |
DAAVOKPTDIEOGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343944; PubChem:CID54580622
|
Local ready
Direct docking supported
|
|
E3L053265
BDB053265
|
BDBM50343945
Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1
|
C17H24N6O 328.420000 |
BGZBKWGPSXTOCT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343945; PubChem:CID54581629
|
Local ready
Direct docking supported
|
|
E3L053266
BDB053266
|
BDBM50343946
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1
|
C19H27N5OS 373.526000 |
DGCCLQLTEFJOAA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343946; PubChem:CID54580769
|
Local ready
Direct docking supported
|
|
E3L053267
BDB053267
|
BDBM50343947
Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
|
C19H28N6O 356.474000 |
PKQCUGMTXSBKHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50343947; PubChem:CID54586639
|
Local ready
Direct docking supported
|
|
E3L053268
BDB053268
|
BDBM50344217
Cc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C23H22N2O5 406.438000 |
FZKFOUPDFQAVGI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344217; PubChem:CID54586658
|
Local ready
Direct docking supported
|
|
E3L053269
BDB053269
|
BDBM50344218
CCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C24H24N2O5 420.465000 |
GCHRLYTWUNUADL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344218; PubChem:CID54583754
|
Local ready
Direct docking supported
|
|
E3L053270
BDB053270
|
BDBM50344219
CCCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H26N2O5 434.492000 |
ABMHTDHRBBZHKQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344219; PubChem:CID54583795
|
Local ready
Direct docking supported
|
|
E3L053271
BDB053271
|
BDBM50344220
CCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H25ClN2O5 468.937000 |
RLCKIAGBRRECJJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344220; PubChem:CID54582795
|
Local ready
Direct docking supported
|
|
E3L053272
BDB053272
|
BDBM50344221
CC(C)c1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H25ClN2O5 468.937000 |
GTRQBPAPDPQVCN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344221; PubChem:CID54581857
|
Local ready
Direct docking supported
|
|
E3L053273
BDB053273
|
BDBM50344222
CC(C)(Oc1ccc2c(CCc3nc(-c4ccccc4Cl)oc3C(C)(C)C)noc2c1)C(=O)O
|
C26H27ClN2O5 482.964000 |
IVLJMWRLXBXCHZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344222; PubChem:CID54587728
|
Local ready
Direct docking supported
|
|
E3L053274
BDB053274
|
BDBM50344223
CCCCCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C28H31ClN2O5 511.018000 |
PZNVHYMAMHJHPX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344223; PubChem:CID54580814
|
Local ready
Direct docking supported
|
|
E3L053275
BDB053275
|
BDBM50344224
CC(C)c1oc(-c2ccccc2O)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H26N2O6 450.491000 |
LSIZDTOGZPHTID-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344224; PubChem:CID136000613
|
Local ready
Direct docking supported
|
|
E3L053276
BDB053276
|
BDBM50344225
CC(C)c1oc(-c2ccccc2C(F)(F)F)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C26H25F3N2O5 502.489000 |
IDNSLIKPYBSESI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344225; PubChem:CID54585710
|
Local ready
Direct docking supported
|
|
E3L053277
BDB053277
|
BDBM50344226
CC(C)c1oc(-c2ccc(C(C)(C)C)cc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C29H34N2O5 490.600000 |
MIGZFASXXKNXJR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344226; PubChem:CID54587729
|
Local ready
Direct docking supported
|
|
E3L053278
BDB053278
|
BDBM50344227
CCCCc1ccc(-c2nc(CCc3noc4cc(OC(C)(C)C(=O)O)ccc34)c(C(C)C)o2)cc1
|
C29H34N2O5 490.600000 |
TYNRGESLBOBNOI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344227; PubChem:CID54585711
|
Local ready
Direct docking supported
|
|
E3L053279
BDB053279
|
BDBM50344228
CC(C)c1oc(-c2ccc(Cl)cc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H24Cl2N2O5 503.382000 |
MJHLFPYZTLHAHB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344228; PubChem:CID9870703
|
Local ready
Direct docking supported
|
|
E3L053280
BDB053280
|
BDBM50344229
CC(C)c1oc(-c2c(Cl)cccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C25H24Cl2N2O5 503.382000 |
JKHABVUUTCGBBW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344229; PubChem:CID54586691
|
Local ready
Direct docking supported
|