| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051421
BDB051421
|
rac-2-(4-Benzylamino-phenoxy)-3-phenyl-propanoic Acid
O=C(O)C(Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1
|
C22H21NO3 347.414000 |
GTJXDICXFBBDIR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299124; PubChem:CID44480202
|
Local ready
Direct docking supported
|
|
E3L051422
BDB051422
|
Bms-754807
C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
|
C23H24FN9O 461.505000 |
LQVXSNNAFNGRAH-QHCPKHFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50299148; PubChem:CID24785538
|
Local ready
Direct docking supported
|
|
E3L051423
BDB051423
|
BDBM50299153
O=C1N=C(O)SC1=Cc1cc(Br)ccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
C19H10BrF6NO3S 526.252000 |
FZRDTEBLFOXQQJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50299153
|
Local ready
Direct docking supported
|
|
E3L051424
BDB051424
|
2-(5-Chlorothiophen-2-ylthio)-2-methylpropanoic acid
CC(C)(Sc1ccc(Cl)s1)C(=O)O
|
C8H9ClO2S2 236.745000 |
YJSKJWHZXLYYGU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299251; PubChem:CID11630055
|
Local ready
Direct docking supported
|
|
E3L051425
BDB051425
|
BDBM50299252
CC(C)(Sc1nc2cc(Br)ccc2s1)C(=O)O
|
C11H10BrNO2S2 332.244000 |
KNNRSTWUVXDTJK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299252; PubChem:CID44478369
|
Local ready
Direct docking supported
|
|
E3L051426
BDB051426
|
(S)-2-(5-methoxybenzo[d]thiazol-2-ylthio)propanoic acid
COc1ccc2sc(S[C@@H](C)C(=O)O)nc2c1
|
C11H11NO3S2 269.347000 |
ZODJAFFPCGRBAV-LURJTMIESA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299253; PubChem:CID44479443
|
Local ready
Direct docking supported
|
|
E3L051427
BDB051427
|
BDBM50299254
CC(Sc1nc2cc(Br)ccc2s1)C(=O)O
|
C10H8BrNO2S2 318.217000 |
LSRDDWYDZCDJOD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299254; PubChem:CID44478373
|
Local ready
Direct docking supported
|
|
E3L051428
BDB051428
|
BDBM50299255
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)O
|
C12H12ClNO2S2 301.820000 |
WLSSFLBYJDWBIC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299255; PubChem:CID44479188
|
Local ready
Direct docking supported
|
|
E3L051429
BDB051429
|
BDBM50299256
CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)O
|
C14H17NO3S2 311.428000 |
SODWLPSYQPOBRP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299256; PubChem:CID44479438
|
Local ready
Direct docking supported
|
|
E3L051430
BDB051430
|
BDBM50299257
O=C(O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
|
C15H10ClNO2S2 335.837000 |
RZBXFBBFXGSOEX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299257; PubChem:CID12928398
|
Local ready
Direct docking supported
|
|
E3L051431
BDB051431
|
BDBM50299258
CCOc1ccc2nc(SC(C)C(=O)O)sc2c1
|
C12H13NO3S2 283.374000 |
VETOKHCXYIEOOU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299258; PubChem:CID44478375
|
Local ready
Direct docking supported
|
|
E3L051432
BDB051432
|
BDBM50299259
CC(C)(Sc1nc2ccc(Cl)cc2s1)C(=O)O
|
C11H10ClNO2S2 287.793000 |
NMANKIMUONKLOK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299259; PubChem:CID44479182
|
Local ready
Direct docking supported
|
|
E3L051433
BDB051433
|
BDBM50299260
CC(C)(Sc1nc2cc(Cl)ccc2s1)C(=O)O
|
C11H10ClNO2S2 287.793000 |
DAYFXNPICRLTSW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299260; PubChem:CID11716196
|
Local ready
Direct docking supported
|
|
E3L051434
BDB051434
|
BDBM50299261
CC(C)(Sc1nc2ccc(C(F)(F)F)cc2s1)C(=O)O
|
C12H10F3NO2S2 321.345000 |
XAVQDXQJEXACIF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299261; PubChem:CID44478372
|
Local ready
Direct docking supported
|
|
E3L051435
BDB051435
|
BDBM50299262
CC(C)(Sc1nc2cc(C#N)ccc2s1)C(=O)O
|
C12H10N2O2S2 278.358000 |
IEMWJRJDDDKIJP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299262; PubChem:CID44479180
|
Local ready
Direct docking supported
|
|
E3L051436
BDB051436
|
BDBM50299263
COc1ccc2sc(SC(C)(C)C(=O)O)nc2c1
|
C12H13NO3S2 283.374000 |
HCCXGCKRIQEGGQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299263; PubChem:CID44478370
|
Local ready
Direct docking supported
|
|
E3L051437
BDB051437
|
BDBM50299264
CC(C)(Sc1nc2ccc(Br)cc2s1)C(=O)O
|
C11H10BrNO2S2 332.244000 |
ZGCGIQKSHFUFDE-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299264; PubChem:CID44478371
|
Local ready
Direct docking supported
|
|
E3L051438
BDB051438
|
(R)-2-(5-methoxybenzo[d]thiazol-2-ylthio)propanoic acid
COc1ccc2sc(S[C@H](C)C(=O)O)nc2c1
|
C11H11NO3S2 269.347000 |
ZODJAFFPCGRBAV-ZCFIWIBFSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299265; PubChem:CID44478643
|
Local ready
Direct docking supported
|
|
E3L051439
BDB051439
|
(S)-2-(5-chlorobenzo[d]thiazol-2-ylthio)propanoic acid
C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O
|
C10H8ClNO2S2 273.766000 |
QTSNMZSKXHZAQF-YFKPBYRVSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299266; PubChem:CID44478642
|
Local ready
Direct docking supported
|
|
E3L051440
BDB051440
|
BDBM50299267
CCOc1ccc2nc(SC(C)(C)C(=O)O)sc2c1
|
C13H15NO3S2 297.401000 |
RMKZGJHQMUZKBV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299267; PubChem:CID44479184
|
Local ready
Direct docking supported
|