| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052561
BDB052561
|
2-(4,6-Diphenethoxypyrimidin-2-ylthio)butanoic acid
CCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O
|
C24H26N2O4S 438.549000 |
OMTINFIXKPYCIG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322462; PubChem:CID46837638
|
Local ready
Direct docking supported
|
|
E3L052562
BDB052562
|
(S)-2-(4,6-diphenethoxypyrimidin-2-ylthio)hexanoic acid
CCCC[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O
|
C26H30N2O4S 466.603000 |
KYRBYBXVVWQIJQ-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322463; PubChem:CID46838061
|
Local ready
Direct docking supported
|
|
E3L052563
BDB052563
|
2-(4,6-Diphenethoxypyrimidin-2-ylthio)octanoic acid
CCCCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O
|
C28H34N2O4S 494.657000 |
CTKVVCDWNBLQHQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322464; PubChem:CID46837639
|
Local ready
Direct docking supported
|
|
E3L052564
BDB052564
|
BDBM50322465
CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(=O)O
|
C28H34N2O4S 494.657000 |
SJXBBPZLCKFUGZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322465; PubChem:CID46837642
|
Local ready
Direct docking supported
|
|
E3L052565
BDB052565
|
BDBM50322466
CCCCC(Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(=O)O
|
C30H38N2O4S 522.711000 |
WIHMGIAQEOABFS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322466; PubChem:CID46837643
|
Local ready
Direct docking supported
|
|
E3L052566
BDB052566
|
BDBM50322467
CCCCC(Sc1nc(OCCc2ccc(C)cc2)cc(OCCc2ccc(C)cc2)n1)C(=O)O
|
C28H34N2O4S 494.657000 |
BUCFYPOIQPKROS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322467; PubChem:CID46837775
|
Local ready
Direct docking supported
|
|
E3L052567
BDB052567
|
BDBM50322468
CCCCC(Sc1nc(OCCc2ccc(OC(F)(F)F)cc2)cc(OCCc2ccc(OC(F)(F)F)cc2)n1)C(=O)O
|
C28H28F6N2O6S 634.595000 |
PDDCQAHTKIBSGG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322468; PubChem:CID46837778
|
Local ready
Direct docking supported
|
|
E3L052568
BDB052568
|
BDBM50322469
CCCCC(Sc1nc(OCCc2ccc(C#N)cc2)cc(OCCc2ccc(C#N)cc2)n1)C(=O)O
|
C28H28N4O4S 516.623000 |
QAVXVNRRFIPLAF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322469; PubChem:CID46837915
|
Local ready
Direct docking supported
|
|
E3L052569
BDB052569
|
BDBM50322470
CCCCC(Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(=O)O
|
C24H38N2O4S 450.645000 |
ITLSBXVSQMLKTA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322470; PubChem:CID46837919
|
Local ready
Direct docking supported
|
|
E3L052570
BDB052570
|
BDBM50322471
CCCCC(Sc1nc(OCCC2CC2)cc(OCCC2CC2)n1)C(=O)O
|
C20H30N2O4S 394.537000 |
AUDRYVXFWHBEQO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322471; PubChem:CID46837920
|
Local ready
Direct docking supported
|
|
E3L052571
BDB052571
|
BDBM50322472
CCCCC(Sc1nc(OCCC(C)C)cc(OCCC(C)C)n1)C(=O)O
|
C20H34N2O4S 398.569000 |
NXNTUEAGQHEFGJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322472; PubChem:CID46838058
|
Local ready
Direct docking supported
|
|
E3L052572
BDB052572
|
2-[2-(9H-fluoren-3-ylcarbamoyl)phenyl]benzoic acid
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2
|
C27H19NO3 405.453000 |
LNIBWMGLLPEMHJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322668; PubChem:CID278706
|
Local ready
Direct docking supported
|
|
E3L052573
BDB052573
|
BDBM50322675
O=C(O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1
|
C19H17N3O2S 351.431000 |
UOQZGCFZUHJMFP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322675; PubChem:CID46854597
|
Local ready
Direct docking supported
|
|
E3L052574
BDB052574
|
BDBM50322676
CSc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C20H19N3O2S2 397.525000 |
RDAVAKUIHXROOP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322676; PubChem:CID46854103
|
Local ready
Direct docking supported
|
|
E3L052575
BDB052575
|
BDBM50322677
CCCCSc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C23H25N3O2S2 439.606000 |
CDYDAAJLMKKNFH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322677; PubChem:CID11561245
|
Local ready
Direct docking supported
|
|
E3L052576
BDB052576
|
BDBM50322678
CCCCCCCCSc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C27H33N3O2S2 495.714000 |
UKBQVAKIOQFUCV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322678; PubChem:CID11504194
|
Local ready
Direct docking supported
|
|
E3L052577
BDB052577
|
BDBM50322679
CCCCNc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C23H26N4O2S 422.554000 |
UCZCXHRURVAXFV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322679; PubChem:CID46854599
|
Local ready
Direct docking supported
|
|
E3L052578
BDB052578
|
BDBM50322680
CCCCCCCNc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C26H32N4O2S 464.635000 |
SHOPVBFKACGBAB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322680; PubChem:CID46854600
|
Local ready
Direct docking supported
|
|
E3L052579
BDB052579
|
BDBM50322681
CCCCN(C)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C24H28N4O2S 436.581000 |
FMYRQUPIDVJTCM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322681; PubChem:CID46854601
|
Local ready
Direct docking supported
|
|
E3L052580
BDB052580
|
BDBM50322682
CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1
|
C27H34N4O2S 478.662000 |
IZWWDVCNPYDTIY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50322682; PubChem:CID46854602
|
Local ready
Direct docking supported
|