| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047361
BDB047361
|
BDBM50171994
CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3cc(C(F)(F)F)ccc3Cl)ccc2O1
|
C22H22ClF3O5 458.860000 |
SMCRKNZAMTWIDL-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50171994; PubChem:CID11408502
|
Local ready
Direct docking supported
|
|
E3L047362
BDB047362
|
BDBM50171995
CC(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
|
C21H20ClF3O6 460.832000 |
UHVVWTZWBOSSCE-HXUWFJFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50171995; PubChem:CID11363175
|
Local ready
Direct docking supported
|
|
E3L047363
BDB047363
|
BDBM50171996
CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC(CC)(C(=O)O)O2
|
C24H27F3O5S 484.536000 |
JYEWQWZFTYOTGP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50171996; PubChem:CID10368050
|
Local ready
Direct docking supported
|
|
E3L047364
BDB047364
|
BDBM50171997
CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(C)(C)C)cc3Cl)ccc2O1
|
C25H31ClO5 446.971000 |
SGOMNGUCMIYNTA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50171997; PubChem:CID11430761
|
Local ready
Direct docking supported
|
|
E3L047365
BDB047365
|
BDBM50171998
CC(C)(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
|
C22H22ClF3O6 474.859000 |
HPYIQQQHHIUWKI-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50171998; PubChem:CID11282914
|
Local ready
Direct docking supported
|
|
E3L047366
BDB047366
|
BDBM50171999
CC1(C(=O)O)Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1
|
C21H20ClF3O6 460.832000 |
FHIQLPQRFYGADP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50171999; PubChem:CID9955922
|
Local ready
Direct docking supported
|
|
E3L047367
BDB047367
|
BDBM50172000
O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1
|
C21H17ClF6O5 498.803000 |
TZIWMCOVGUSGHT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50172000; PubChem:CID11755655
|
Local ready
Direct docking supported
|
|
E3L047368
BDB047368
|
BDBM50172001
CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(C(F)(F)F)cc3Cl)ccc2O1
|
C21H20ClF3O5 444.833000 |
UBQQRAJQIMDDRW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50172001; PubChem:CID9980930
|
Local ready
Direct docking supported
|
|
E3L047369
BDB047369
|
BDBM50172002
CCC1(C(=O)O)Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1
|
C21H20ClF3O6 460.832000 |
BLLKMHPEGRBPKA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50172002; PubChem:CID11385663
|
Local ready
Direct docking supported
|
|
E3L047370
BDB047370
|
BDBM50172003
CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
|
C22H22ClF3O6 474.859000 |
WGTAXHBXOPSDFG-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50172003; PubChem:CID11248512
|
Local ready
Direct docking supported
|
|
E3L047371
BDB047371
|
BDBM50172004
CC[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1
|
C22H22ClF3O5 458.860000 |
IUZYEVSRBUMFHK-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50172004; PubChem:CID9981617
|
Local ready
Direct docking supported
|
|
E3L047372
BDB047372
|
BDBM50172005
CC(C)[C@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
|
C22H22ClF3O6 474.859000 |
WGTAXHBXOPSDFG-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50172005; PubChem:CID10005136
|
Local ready
Direct docking supported
|
|
E3L047373
BDB047373
|
BDBM50172006
CC(C)(C)C1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1
|
C24H26ClF3O5 486.914000 |
QKQFLHYSVRUCLQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50172006; PubChem:CID11386220
|
Local ready
Direct docking supported
|
|
E3L047374
BDB047374
|
Bemcentinib
Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2
|
C30H34N8 506.658000 |
KXMZDGSRSGHMMK-VWLOTQADSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50172079; PubChem:CID46215462
|
Local ready
Direct docking supported
|
|
E3L047375
BDB047375
|
BDBM50172107
CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc21
|
C14H13N3O2 255.277000 |
HCHHWOYUIPSLJH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172107; PubChem:CID6937521
|
Local ready
Direct docking supported
|
|
E3L047376
BDB047376
|
BDBM50172108
CC(=O)n1cc(-c2c(C)n(S(C)(=O)=O)n(S(C)(=O)=O)c2=O)c2ccccc21
|
C16H17N3O6S2 411.461000 |
JAYFVDUPLKVZDT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172108; PubChem:CID127045371
|
Local ready
Direct docking supported
|
|
E3L047377
BDB047377
|
BDBM50172109
CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc21
|
C32H29N3O4 519.601000 |
FXXFMGCCUOEKME-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172109; PubChem:CID127045510
|
Local ready
Direct docking supported
|
|
E3L047378
BDB047378
|
BDBM50172110
COc1ccc(C(=O)n2[nH]c(=O)c(-c3cn(C(C)=O)c4ccccc34)c2C)cc1
|
C22H19N3O4 389.411000 |
NWMWTBZNJWTXGF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172110; PubChem:CID127045243
|
Local ready
Direct docking supported
|
|
E3L047379
BDB047379
|
BDBM50172111
CC(=O)n1cc(-c2c(C)n(C(=O)N3CCOCC3)[nH]c2=O)c2ccccc21
|
C19H20N4O4 368.393000 |
BSWGSLMPWVYQPV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172111; PubChem:CID127045251
|
Local ready
Direct docking supported
|
|
E3L047380
BDB047380
|
BDBM50172112
CC(=O)n1cc(-c2c(C)nn3c2OCC3)c2ccccc21
|
C16H15N3O2 281.315000 |
RVHAVBXZRUCGCC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50172112; PubChem:CID127045252
|
Local ready
Direct docking supported
|