| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047761
BDB047761
|
BDBM50181908
O=C(O)Cn1ccc2c(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cccc21
|
C26H22FNO5 447.462000 |
OSODZFHPHPHFGP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181908; PubChem:CID11408244
|
Local ready
Direct docking supported
|
|
E3L047762
BDB047762
|
BDBM50181909
CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2cc(C(=O)c3ccccc3)ccc12
|
C33H31NO5 521.613000 |
PMPUMRAPFFYFRW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50181909; PubChem:CID11678044
|
Local ready
Direct docking supported
|
|
E3L047763
BDB047763
|
BDBM50181910
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2ccn(CC(=O)O)c2c1
|
C29H28FNO5 489.543000 |
CHUOXAKJPAYADI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50181910; PubChem:CID11306364
|
Local ready
Direct docking supported
|
|
E3L047764
BDB047764
|
BDBM50181911
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2cc(C(=O)c3ccccc3)ccc12
|
C33H31NO5 521.613000 |
ZXWVCCFKIRBLDP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50181911; PubChem:CID6102812
|
Local ready
Direct docking supported
|
|
E3L047765
BDB047765
|
BDBM50181912
O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21
|
C30H25NO5 479.532000 |
OQVNJRQZIUNACE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50181912; PubChem:CID11583815
|
Local ready
Direct docking supported
|
|
E3L047766
BDB047766
|
BDBM50181913
O=C(O)Cn1ccc2cc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc21
|
C26H22FNO5 447.462000 |
KAFMYLUZZVTZNM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181913; PubChem:CID11775225
|
Local ready
Direct docking supported
|
|
E3L047767
BDB047767
|
Dalmelitinib
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21
|
C22H16FN7O2S 461.482000 |
MFEXYTURXUZOID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50182493; PubChem:CID86302574
|
Local ready
Direct docking supported
|
|
E3L047768
BDB047768
|
BDBM50183019
Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Oc4ccccc4)nc23)ccc1C(=O)NC1CC1
|
C28H30N6O3 498.587000 |
SPYVZMIWNDEJND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50183019
|
Local ready
Direct docking supported
|
|
E3L047769
BDB047769
|
BDBM50183448
COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C
|
C20H23N3O3 353.422000 |
RBUYFHLQNPJMQM-UHFFFAOYSA-N | Q12830, Q92793 | Nucleosome-remodeling factor subunit BPTF, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50183448; PubChem:CID118796358
|
Local ready
Direct docking supported
|
|
E3L047770
BDB047770
|
BDBM50184248
CCCc1c(OCCCn2ncc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12
|
C23H22F3N3O4 461.440000 |
ZFCIXIWMXLHUDY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184248; PubChem:CID11626766
|
Local ready
Direct docking supported
|
|
E3L047771
BDB047771
|
BDBM50184249
CCCc1c(OCCCn2ccc3cc(CCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O4 474.479000 |
AORBCLGGYNFMGN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184249; PubChem:CID11525752
|
Local ready
Direct docking supported
|
|
E3L047772
BDB047772
|
BDBM50184250
CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(C(F)(F)F)c2)ccc2c(C(F)(F)F)noc12
|
C24H24F6N2O4 518.454000 |
XNZXFVFJRAJUDY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184250; PubChem:CID44412006
|
Local ready
Direct docking supported
|
|
E3L047773
BDB047773
|
BDBM50184253
CCCc1c(OCCCN(C)c2cccc(CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C23H25F3N2O4 450.457000 |
KNURBYIANGVDEG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184253; PubChem:CID44411977
|
Local ready
Direct docking supported
|
|
E3L047774
BDB047774
|
BDBM50184254
CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12
|
C23H25F3N2O4 450.457000 |
FAQHMFAPRWBDDB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184254; PubChem:CID44411842
|
Local ready
Direct docking supported
|
|
E3L047775
BDB047775
|
BDBM50184255
CCCc1c(OCCCn2ccc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12
|
C24H23F3N2O4 460.452000 |
VPVFJCQJGDFRIA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184255; PubChem:CID11669781
|
Local ready
Direct docking supported
|
|
E3L047776
BDB047776
|
BDBM50184256
CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(C)c2)ccc2c(C(F)(F)F)noc12
|
C24H27F3N2O4 464.484000 |
AVSJVGZIDNEDSK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184256; PubChem:CID44412195
|
Local ready
Direct docking supported
|
|
E3L047777
BDB047777
|
BDBM50184258
CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cc2C)ccc2c(C(F)(F)F)noc12
|
C24H27F3N2O4 464.484000 |
GZAPSISRDWGGFB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184258; PubChem:CID44412188
|
Local ready
Direct docking supported
|
|
E3L047778
BDB047778
|
BDBM50184261
CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12
|
C22H22F3NO5 437.414000 |
SYPXZIFSIJUYCS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184261; PubChem:CID44411661
|
Local ready
Direct docking supported
|
|
E3L047779
BDB047779
|
BDBM50184263
CCCc1c(OCCCOc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12
|
C22H21ClF3NO5 471.859000 |
FAYRZYDHLUVKKC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184263; PubChem:CID44411653
|
Local ready
Direct docking supported
|
|
E3L047780
BDB047780
|
BDBM50184266
CCCc1c(OCCCN(CC)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12
|
C24H27F3N2O4 464.484000 |
DHBTWYCRACDCDH-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184266; PubChem:CID44411789
|
Local ready
Direct docking supported
|