| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059521
BDB059521
|
BDBM50529931
O=C(NCC(O)CN1CCc2ccccc2C1)c1cc2c(s1)CCN(Cc1ccccc1)C2
|
C27H31N3O2S 461.631000 |
ARQXUJZVPOUYNC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50529931; PubChem:CID155525528
|
Local ready
Direct docking supported
|
|
E3L059522
BDB059522
|
Leriglitazone
CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
|
C19H20N2O4S 372.446000 |
OXVFDZYQLGRLCD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50530214; PubChem:CID4147757
|
Local ready
Direct docking supported
|
|
E3L059523
BDB059523
|
BDBM50530339
O=C(O)CCOc1nc(Nc2cccc3c2CCC3)cc(C(F)(F)F)n1
|
C17H16F3N3O3 367.327000 |
CMLCPUXRARJXQZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530339; PubChem:CID155541634
|
Local ready
Direct docking supported
|
|
E3L059524
BDB059524
|
BDBM50530340
Cc1cccc(Nc2cc(Br)nc(SCC(=O)O)n2)c1C
|
C14H14BrN3O2S 368.256000 |
OBSVFENGTCLUJY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50530340; PubChem:CID153763221
|
Local ready
Direct docking supported
|
|
E3L059525
BDB059525
|
BDBM50530341
Cc1ccccc1Nc1cc(Cl)nc(SCC(=O)O)n1
|
C13H12ClN3O2S 309.778000 |
GYJGAUOHVBBANG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530341; PubChem:CID155534885
|
Local ready
Direct docking supported
|
|
E3L059526
BDB059526
|
BDBM50530342
O=C(O)CSc1nc(Cl)cc(Nc2ccc(Cl)c3c2CCC3)n1
|
C15H13Cl2N3O2S 370.261000 |
MCBRWQUTXJYWCL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530342; PubChem:CID155526365
|
Local ready
Direct docking supported
|
|
E3L059527
BDB059527
|
BDBM50530343
Cc1c(Br)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
|
C14H13BrClN3O2S 402.701000 |
BRXAIWWDESPYDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530343; PubChem:CID24828803
|
Local ready
Direct docking supported
|
|
E3L059528
BDB059528
|
BDBM50530344
CN(c1cc(C(F)(F)F)nc(OCCC(=O)O)n1)c1cccc2c1CCC2
|
C18H18F3N3O3 381.354000 |
YMSJOQCCWIPKGF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50530344; PubChem:CID155557691
|
Local ready
Direct docking supported
|
|
E3L059529
BDB059529
|
BDBM50530345
Cc1cc(Nc2cccc(C)c2C)nc(SCC(=O)O)n1
|
C15H17N3O2S 303.387000 |
NEDLCFOWBABENV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530345; PubChem:CID155513665
|
Local ready
Direct docking supported
|
|
E3L059530
BDB059530
|
BDBM50530346
O=C(O)CSc1nc(Cl)cc(Nc2cccc3c2CCCC3)n1
|
C16H16ClN3O2S 349.843000 |
BPCUCWYWVVQEIW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530346; PubChem:CID155560868
|
Local ready
Direct docking supported
|
|
E3L059531
BDB059531
|
BDBM50530347
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1
|
C13H12ClN3O2S 309.778000 |
HPEGNYGHOQOEET-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530347; PubChem:CID155539254
|
Local ready
Direct docking supported
|
|
E3L059532
BDB059532
|
BDBM50530348
CCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
|
C16H18ClN3O2S 351.859000 |
QOGGHJNOQATQIO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530348; PubChem:CID11978566
|
Local ready
Direct docking supported
|
|
E3L059533
BDB059533
|
BDBM50530349
Cc1cccc(Nc2ccnc(SCC(=O)O)n2)c1C
|
C14H15N3O2S 289.360000 |
BFQXQPITYSYKRZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530349; PubChem:CID44323732
|
Local ready
Direct docking supported
|
|
E3L059534
BDB059534
|
BDBM50530350
Cc1cccc(Nc2cc(Cl)nc(OCCC(=O)O)n2)c1C
|
C15H16ClN3O3 321.764000 |
GKGFPRXJRJCDDW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530350; PubChem:CID155514089
|
Local ready
Direct docking supported
|
|
E3L059535
BDB059535
|
BDBM50530351
Cc1c(Cl)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
|
C14H13Cl2N3O2S 358.250000 |
HAJMGMXAZZMTQV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530351; PubChem:CID24828805
|
Local ready
Direct docking supported
|
|
E3L059536
BDB059536
|
BDBM50530352
Cc1cccc(Nc2cc(C(F)(F)F)nc(SCC(=O)O)n2)c1C
|
C15H14F3N3O2S 357.357000 |
WZOZBMNOZRXHLN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530352; PubChem:CID155549327
|
Local ready
Direct docking supported
|
|
E3L059537
BDB059537
|
BDBM50530353
Cc1cccc(N(c2cc(Cl)nc(SCC(=O)O)n2)C(C)C)c1C
|
C17H20ClN3O2S 365.886000 |
RLSYUMYWJBGGGT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530353; PubChem:CID155530735
|
Local ready
Direct docking supported
|
|
E3L059538
BDB059538
|
BDBM50530354
Cc1cccc(Nc2cc(Cl)nc(SCCC(=O)O)n2)c1C
|
C15H16ClN3O2S 337.832000 |
ZGUZSFPMEANCQE-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530354; PubChem:CID155556924
|
Local ready
Direct docking supported
|
|
E3L059539
BDB059539
|
BDBM50530356
Cc1cccc(Oc2cc(Cl)nc(SCC(=O)O)n2)c1C
|
C14H13ClN2O3S 324.789000 |
LCHHVOWFKUIKMX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530356; PubChem:CID9973559
|
Local ready
Direct docking supported
|
|
E3L059540
BDB059540
|
2-(4-Anilino-6-chloropyrimidin-2-yl)sulfanylacetic acid
O=C(O)CSc1nc(Cl)cc(Nc2ccccc2)n1
|
C12H10ClN3O2S 295.751000 |
UWBQKROZTMIDCX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50530357; PubChem:CID21557355
|
Local ready
Direct docking supported
|