| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047681
BDB047681
|
BDBM50179240
CCCc1c(OCCCOc2ccc3c(ccn3CCC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O5 490.478000 |
ZGOFUEGMFXFQKE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179240; PubChem:CID11540431
|
Local ready
Direct docking supported
|
|
E3L047682
BDB047682
|
BDBM50179241
CCCc1c(OCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C23H21F3N2O5 462.424000 |
FVIOTIMMQMLVMV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179241; PubChem:CID11431152
|
Local ready
Direct docking supported
|
|
E3L047683
BDB047683
|
BDBM50179242
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)coc12
|
C30H29NO5 483.564000 |
CRYGGVRSHOUCTH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179242; PubChem:CID11712774
|
Local ready
Direct docking supported
|
|
E3L047684
BDB047684
|
BDBM50179243
CCCc1c(OCCCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C26H27F3N2O5 504.505000 |
PRKMZIWSBKQAHS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179243; PubChem:CID11341085
|
Local ready
Direct docking supported
|
|
E3L047685
BDB047685
|
BDBM50179244
CCCc1c(OCCC(C)CCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C27H29F3N2O5 518.532000 |
CLHNZVNBTRJSNX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179244; PubChem:CID11511914
|
Local ready
Direct docking supported
|
|
E3L047686
BDB047686
|
BDBM50179245
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(=O)C(F)(F)F)c[nH]c12
|
C26H25F3N2O5 502.489000 |
GHGWDIVXERLYFN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179245; PubChem:CID11656305
|
Local ready
Direct docking supported
|
|
E3L047687
BDB047687
|
BDBM50179246
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(-c3ccccc3)[nH]c12
|
C30H30N2O4 482.580000 |
YRFJWRCVNFMVHJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179246; PubChem:CID11663038
|
Local ready
Direct docking supported
|
|
E3L047688
BDB047688
|
BDBM50179247
CCCc1c(OCCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C26H27F3N2O5 504.505000 |
FAQAPRJCKRYZMI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179247; PubChem:CID11785404
|
Local ready
Direct docking supported
|
|
E3L047689
BDB047689
|
BDBM50179248
CCCc1c(OCCCOc2cccc3c2ccn3CCC(=O)O)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O5 490.478000 |
IHORVCQOZNLXQR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179248; PubChem:CID11627300
|
Local ready
Direct docking supported
|
|
E3L047690
BDB047690
|
BDBM50179249
CCCc1c(OCCCOc2cccc3c2ccn3C(CC)C(=O)O)ccc2c(C(F)(F)F)noc12
|
C26H27F3N2O5 504.505000 |
DBNPMVWLTQZOKJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179249; PubChem:CID11656332
|
Local ready
Direct docking supported
|
|
E3L047691
BDB047691
|
BDBM50179360
CC1=CCC(C(=O)/N=C2\CC=C(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c32)=C/C1=N/C(=O)C1=CC=C/C(=N\C(=O)/N=C2\C=CC=C(C(=O)/N=C3/CC(C(=O)/N=C4\CC=C(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c54)=CC=C3C)C2)C1
|
C51H40N6O23S6 1297.302000 |
VTCUUTNDNRAQSK-NCNWUEASSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase NSD2 |
BindingDB
BindingDB:BDBM50179360
|
Local ready
Direct docking supported
|
|
E3L047692
BDB047692
|
BDBM50179815
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(=O)[nH]c3c2)cc1)C(=O)O
|
C25H29NO5 423.509000 |
VWOYBFSENDRFBQ-VWLOTQADSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179815; PubChem:CID44409213
|
Local ready
Direct docking supported
|
|
E3L047693
BDB047693
|
BDBM50179816
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCC(C)(C)CC3)cc2Cl)cc1)C(=O)O
|
C29H39ClO4 487.080000 |
RNSOHSLRYRPYTQ-LJAQVGFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179816; PubChem:CID44409375
|
Local ready
Direct docking supported
|
|
E3L047694
BDB047694
|
BDBM50179817
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2Cl)cc1)C(=O)O
|
C25H24ClF3O6 512.908000 |
WIVHGBANKUQAAB-DEOSSOPVSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179817; PubChem:CID44409063
|
Local ready
Direct docking supported
|
|
E3L047695
BDB047695
|
BDBM50179818
CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O
|
C27H28ClFO5 486.967000 |
SGYYFIRXDUVJLR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179818; PubChem:CID44409427
|
Local ready
Direct docking supported
|
|
E3L047696
BDB047696
|
BDBM50179819
CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O
|
C26H26ClFO6 488.939000 |
DDPMKDJRWHFNKY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179819; PubChem:CID44409181
|
Local ready
Direct docking supported
|
|
E3L047697
BDB047697
|
BDBM50179820
CCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O
|
C26H26ClFO5 472.940000 |
YPMAPCXWXFAWIZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179820; PubChem:CID44409318
|
Local ready
Direct docking supported
|
|
E3L047698
BDB047698
|
BDBM50179821
CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(=O)O
|
C21H25ClO4 376.880000 |
SBEKBLIYTASPMP-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179821; PubChem:CID44409131
|
Local ready
Direct docking supported
|
|
E3L047699
BDB047699
|
BDBM50179822
O=C(O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1
|
C28H28ClFO5 498.978000 |
GNUXGVDZLWXMPV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179822; PubChem:CID44409430
|
Local ready
Direct docking supported
|
|
E3L047700
BDB047700
|
BDBM50179823
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1)C(=O)O
|
C26H27F3O6 492.490000 |
DUYSLKPVWQFSOB-VWLOTQADSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179823; PubChem:CID44409212
|
Local ready
Direct docking supported
|