| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048101
BDB048101
|
BDBM50194671
CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4OC4CCN(C)CC4)ccc3C)ccc2n1
|
C30H30F3N5O2 549.597000 |
DGUSFVFTIHATAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50194671; PubChem:CID16086104
|
Local ready
Direct docking supported
|
|
E3L048102
BDB048102
|
BDBM50194950
COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)cc1
|
C24H26N2O6 438.480000 |
HEIQVRRGXSCNIH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194950; PubChem:CID44419760
|
Local ready
Direct docking supported
|
|
E3L048103
BDB048103
|
BDBM50194951
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)C(=O)O)cn1
|
C21H22N2O4 366.417000 |
XKLUVXAVDPISGS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194951; PubChem:CID44419822
|
Local ready
Direct docking supported
|
|
E3L048104
BDB048104
|
BDBM50194952
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)cn1
|
C24H26N2O5 422.481000 |
HEIMHRZFDOAASV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194952; PubChem:CID11464352
|
Local ready
Direct docking supported
|
|
E3L048105
BDB048105
|
BDBM50194953
CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
|
C22H24N2O5 396.443000 |
JTZPVQRNTCZQFO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194953; PubChem:CID44419776
|
Local ready
Direct docking supported
|
|
E3L048106
BDB048106
|
BDBM50194954
CCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
|
C22H24N2O4 380.444000 |
LDGIYJVCIBYBFK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194954; PubChem:CID44419827
|
Local ready
Direct docking supported
|
|
E3L048107
BDB048107
|
BDBM50194955
Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
|
C23H23ClN2O5 442.899000 |
UKJMTZGBGIXWHJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194955; PubChem:CID11351238
|
Local ready
Direct docking supported
|
|
E3L048108
BDB048108
|
BDBM50194956
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(CC(C)C)C(=O)O)cn1
|
C24H28N2O4 408.498000 |
PZBKYICTVQFMDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194956; PubChem:CID44419769
|
Local ready
Direct docking supported
|
|
E3L048109
BDB048109
|
BDBM50194957
COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1
|
C24H26N2O6 438.480000 |
MNVXKRKUKYAITA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194957; PubChem:CID11476137
|
Local ready
Direct docking supported
|
|
E3L048110
BDB048110
|
BDBM50194958
Cc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2(C(=O)O)CCCO2)cn1
|
C24H26N2O5 422.481000 |
FJPNDQPXIIPWFS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194958; PubChem:CID44419805
|
Local ready
Direct docking supported
|
|
E3L048111
BDB048111
|
BDBM50194959
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(C)C(=O)O)cn1
|
C22H24N2O4 380.444000 |
UTPWCPSHPUKSMQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194959; PubChem:CID44419773
|
Local ready
Direct docking supported
|
|
E3L048112
BDB048112
|
BDBM50194960
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCC2)cn1
|
C23H24N2O4 392.455000 |
BBQCCIAXNMDNRO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194960; PubChem:CID44419786
|
Local ready
Direct docking supported
|
|
E3L048113
BDB048113
|
BDBM50194961
Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1
|
C24H26N2O5 422.481000 |
KBOLGLHRFVZEAM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194961; PubChem:CID44419809
|
Local ready
Direct docking supported
|
|
E3L048114
BDB048114
|
BDBM50194962
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCC2)cn1
|
C25H28N2O4 420.509000 |
METSTVZJPLKAAR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194962; PubChem:CID44419790
|
Local ready
Direct docking supported
|
|
E3L048115
BDB048115
|
BDBM50194963
COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
|
C21H22N2O5 382.416000 |
CQPXKOPODPJAKY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194963; PubChem:CID11199906
|
Local ready
Direct docking supported
|
|
E3L048116
BDB048116
|
BDBM50194964
CCOC(CC)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
|
C24H28N2O5 424.497000 |
NZZMRMMECJETRO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194964; PubChem:CID44419780
|
Local ready
Direct docking supported
|
|
E3L048117
BDB048117
|
BDBM50194965
CO[C@@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
|
C22H24N2O5 396.443000 |
QQJHRCMKKXNPSH-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194965; PubChem:CID42604838
|
Local ready
Direct docking supported
|
|
E3L048118
BDB048118
|
BDBM50194966
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(C)C)cn1
|
C23H26N2O4 394.471000 |
RBRIRIIMEHNOLN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194966; PubChem:CID44419765
|
Local ready
Direct docking supported
|
|
E3L048119
BDB048119
|
BDBM50194967
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
|
C23H24N2O5 408.454000 |
WXJOPUMLDHSETD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194967; PubChem:CID11165712
|
Local ready
Direct docking supported
|
|
E3L048120
BDB048120
|
BDBM50194968
COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O
|
C24H24ClNO5 441.911000 |
FVHQEMSSJWJWJA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194968; PubChem:CID44419778
|
Local ready
Direct docking supported
|