| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046401
BDB046401
|
Indirubin-3'-monoxime
O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12
|
C16H11N3O2 277.283000 |
FQCPPVRJPILDIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50132003; PubChem:CID3707
|
Local ready
Direct docking supported
|
|
E3L046402
BDB046402
|
Ci-1040
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
|
C17H14ClF2IN2O2 478.664000 |
GFMMXOIFOQCCGU-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50132260; PubChem:CID6918454
|
Local ready
Direct docking supported
|
|
E3L046403
BDB046403
|
(S)-2-(3-Benzylcarbamoyl-4-methoxy-benzyl)-butyric acid
CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2)c1)C(=O)O
|
C20H23NO4 341.407000 |
KSSKJPBWYYGQIV-INIZCTEOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132470; PubChem:CID44336742
|
Local ready
Direct docking supported
|
|
E3L046404
BDB046404
|
Krp-101
CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)O
|
C26H26FNO5 451.494000 |
VRHOBXXCNBZJRX-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132472; PubChem:CID9825046
|
Local ready
Direct docking supported
|
|
E3L046405
BDB046405
|
BDBM50132561
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(OCc2ccccn2)cc1
|
C28H27F3N2O5 528.527000 |
WWFHJMOXDLBQPD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132561; PubChem:CID10208599
|
Local ready
Direct docking supported
|
|
E3L046406
BDB046406
|
BDBM50132563
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1
|
C22H22F3NO4 421.415000 |
FWIFZCRXGVVJKY-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132563; PubChem:CID44337694
|
Local ready
Direct docking supported
|
|
E3L046407
BDB046407
|
BDBM50132564
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(F)(F)F)cc1
|
C23H21F6NO4 489.412000 |
XAJQUFSHSHLOKC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132564; PubChem:CID44337688
|
Local ready
Direct docking supported
|
|
E3L046408
BDB046408
|
BDBM50132565
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(CCc2ccccn2)cc1
|
C29H29F3N2O4 526.555000 |
FPGBQKOCQJXRCD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132565; PubChem:CID44337866
|
Local ready
Direct docking supported
|
|
E3L046409
BDB046409
|
BDBM50132566
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(Cl)cc1
|
C22H21ClF3NO4 455.860000 |
KWVHTJRFJCTACX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132566; PubChem:CID10276052
|
Local ready
Direct docking supported
|
|
E3L046410
BDB046410
|
BDBM50132567
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccccc1
|
C22H22F3NO4 421.415000 |
FWIFZCRXGVVJKY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132567; PubChem:CID10202354
|
Local ready
Direct docking supported
|
|
E3L046411
BDB046411
|
BDBM50132568
CCCc1cc(C(=O)CC)c(O)c(CCC)c1OC(C(=O)O)c1ccccc1
|
C23H28O5 384.472000 |
DSKNQEPRHSNXMS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132568; PubChem:CID21985914
|
Local ready
Direct docking supported
|
|
E3L046412
BDB046412
|
BDBM50132569
CCCc1c(O)c(C(=O)CC)cc(Cl)c1OC(C(=O)O)c1ccccc1
|
C20H21ClO5 376.836000 |
VRXQBTAASDYONU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132569; PubChem:CID44338182
|
Local ready
Direct docking supported
|
|
E3L046413
BDB046413
|
BDBM50132570
CCCc1cc2c(CC)noc2c(CCC)c1OC(C(=O)O)c1ccccc1
|
C23H27NO4 381.472000 |
ZNFQACQKTCDXGN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132570; PubChem:CID44338195
|
Local ready
Direct docking supported
|
|
E3L046414
BDB046414
|
BDBM50132571
CCCc1c(OC(C(=O)O)c2ccccc2)c(Cl)cc2c(CC)noc12
|
C20H20ClNO4 373.836000 |
WMHHNFBHKPBUTJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132571; PubChem:CID10177377
|
Local ready
Direct docking supported
|
|
E3L046415
BDB046415
|
BDBM50132572
CCCc1cc(C(=O)OC)cc(CCC)c1OC(C(=O)O)c1ccccc1
|
C22H26O5 370.445000 |
JVBKTIFDZAGSRW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132572; PubChem:CID19080384
|
Local ready
Direct docking supported
|
|
E3L046416
BDB046416
|
BDBM50132573
COC(=O)c1cc(C)c(OC(C(=O)O)c2ccccc2)c(C)c1
|
C18H18O5 314.337000 |
JYVAVMBMZCISJE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132573; PubChem:CID44337634
|
Local ready
Direct docking supported
|
|
E3L046417
BDB046417
|
BDBM50132574
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(C)C)cc1
|
C25H28F3NO4 463.496000 |
QMKXLHIRXIYHRA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132574; PubChem:CID10161854
|
Local ready
Direct docking supported
|
|
E3L046418
BDB046418
|
BDBM50132575
CCCc1cc(C(=O)OC)cc(Cl)c1OC(C(=O)O)c1ccccc1
|
C19H19ClO5 362.809000 |
BYRCOLHSDXCBKC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132575; PubChem:CID44337635
|
Local ready
Direct docking supported
|
|
E3L046419
BDB046419
|
BDBM50132576
CCCc1cc(C(=O)OC)cc(C)c1OC(C(=O)O)c1ccccc1
|
C20H22O5 342.391000 |
LGERMXPSARQTDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132576; PubChem:CID44337716
|
Local ready
Direct docking supported
|
|
E3L046420
BDB046420
|
BDBM50132577
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)O)c1ccccc1
|
C22H22F3NO4 421.415000 |
FWIFZCRXGVVJKY-GOSISDBHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132577; PubChem:CID44337695
|
Local ready
Direct docking supported
|