| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046721
BDB046721
|
BDBM50148449
NC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)O
|
C22H21NO5 379.412000 |
CTINALKUKCEPOT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50148449; PubChem:CID18442899
|
Local ready
Direct docking supported
|
|
E3L046722
BDB046722
|
Dimethyl 4-[2-(2-naphthoxy)ethoxy]benzylmalonate
COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC
|
C24H24O6 408.450000 |
ULSSWORINRDNHT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50148450; PubChem:CID10341401
|
Local ready
Direct docking supported
|
|
E3L046723
BDB046723
|
BDBM50148451
COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(=O)OC
|
C24H28O6 412.482000 |
OWWFIAVRQGBXIV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50148451; PubChem:CID9844554
|
Local ready
Direct docking supported
|
|
E3L046724
BDB046724
|
BDBM50148452
COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)O
|
C27H34O6 454.563000 |
VDQRCWMYDWTXDN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50148452; PubChem:CID18442904
|
Local ready
Direct docking supported
|
|
E3L046725
BDB046725
|
BDBM50148453
COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(N)=O
|
C23H27NO5 397.471000 |
FQUBVABZMJBUTA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50148453; PubChem:CID18442917
|
Local ready
Direct docking supported
|
|
E3L046726
BDB046726
|
BDBM50148460
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
|
C19H21N3O3S 371.462000 |
YICIKZOAJUXQMK-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148460; PubChem:CID2972356
|
Local ready
Direct docking supported
|
|
E3L046727
BDB046727
|
BDBM50148461
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F
|
C16H16FN3O3S 349.387000 |
PXGSVSFPUHPBFZ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148461; PubChem:CID49190366
|
Local ready
Direct docking supported
|
|
E3L046728
BDB046728
|
BDBM50148462
CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
|
C18H21N3O3S 359.451000 |
NTEOEJNZLOGVBX-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148462; PubChem:CID49190451
|
Local ready
Direct docking supported
|
|
E3L046729
BDB046729
|
BDBM50148463
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCO4)ccc21
|
C18H19N3O4S 373.434000 |
YEDQBVNVLYBCQL-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148463; PubChem:CID127025698
|
Local ready
Direct docking supported
|
|
E3L046730
BDB046730
|
BDBM50148464
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)ccc21
|
C20H23N3O4S 401.488000 |
QJMFTSYRHAJTEU-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148464; PubChem:CID127025422
|
Local ready
Direct docking supported
|
|
E3L046731
BDB046731
|
BDBM50148465
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc21
|
C18H19N3O3S 357.435000 |
WRXNNTALAJMHKU-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148465; PubChem:CID49190466
|
Local ready
Direct docking supported
|
|
E3L046732
BDB046732
|
BDBM50148466
COC1(C)Oc2cc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2O[C@]1(C)OC
|
C21H25N3O7S 463.512000 |
RWFNXGRTBFLSPT-BGERDNNASA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148466; PubChem:CID127025423
|
Local ready
Direct docking supported
|
|
E3L046733
BDB046733
|
BDBM50148467
Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21
|
C21H18ClN3O4S 443.912000 |
BQZPMDCKARCXPC-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148467; PubChem:CID50796734
|
Local ready
Direct docking supported
|
|
E3L046734
BDB046734
|
BDBM50148468
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1OC
|
C23H23N3O6S 469.519000 |
GOSJWGMIGYNNGJ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148468; PubChem:CID50796762
|
Local ready
Direct docking supported
|
|
E3L046735
BDB046735
|
BDBM50148469
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C
|
C23H23N3O4S 437.521000 |
SGRKPPRAYHLRKC-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148469; PubChem:CID50796763
|
Local ready
Direct docking supported
|
|
E3L046736
BDB046736
|
BDBM50148470
COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1
|
C22H21N3O5S 439.493000 |
MEWCCJKZDZAUIP-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148470; PubChem:CID50796790
|
Local ready
Direct docking supported
|
|
E3L046737
BDB046737
|
BDBM50148471
Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
|
C22H20ClN3O4S 457.939000 |
OMTRWETWCHAYAR-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148471; PubChem:CID50796842
|
Local ready
Direct docking supported
|
|
E3L046738
BDB046738
|
BDBM50148472
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1F
|
C22H20FN3O4S 441.484000 |
YMPAZBDCVIJUGO-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148472; PubChem:CID50796897
|
Local ready
Direct docking supported
|
|
E3L046739
BDB046739
|
BDBM50148473
Cc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
|
C22H20FN3O4S 441.484000 |
JFYSITYEIVQUDT-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148473; PubChem:CID50796873
|
Local ready
Direct docking supported
|
|
E3L046740
BDB046740
|
BDBM50148474
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1
|
C22H21N3O4S 423.494000 |
BCSTVTWCJVHOHA-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50148474; PubChem:CID50820716
|
Local ready
Direct docking supported
|