| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045781
BDB045781
|
BDBM50102674
O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1
|
C23H17N5O4 427.420000 |
UKKCHLWQDVEFEM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50102674; PubChem:CID118716802
|
Local ready
Direct docking supported
|
|
E3L045782
BDB045782
|
BDBM50102675
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc1-c1c[nH]c(=O)[nH]c1=O
|
C24H19N5O5 457.446000 |
VSFRKGLZMYMIBU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50102675; PubChem:CID118716803
|
Local ready
Direct docking supported
|
|
E3L045783
BDB045783
|
BDBM50102676
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(N2CCC(=O)NC2=O)c1
|
C24H21N5O5 459.462000 |
QWNVJARHHLZSNV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50102676; PubChem:CID118716806
|
Local ready
Direct docking supported
|
|
E3L045784
BDB045784
|
BDBM50102677
COc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCN3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1
|
C24H25N5O5 463.494000 |
QYAZNTGNUDRPNF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50102677; PubChem:CID118716808
|
Local ready
Direct docking supported
|
|
E3L045785
BDB045785
|
BDBM50102678
CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(-c3c[nH]c(=O)[nH]c3=O)c2)cc1
|
C21H21N5O5 423.429000 |
ZDYHHMHXNVBIAM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50102678; PubChem:CID118716809
|
Local ready
Direct docking supported
|
|
E3L045786
BDB045786
|
BDBM50103143
O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1
|
C24H22N2O4 402.450000 |
BSLUDLDLEQWAJM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103143; PubChem:CID90676724
|
Local ready
Direct docking supported
|
|
E3L045787
BDB045787
|
BDBM50103144
O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cccc(-c2ccccc2)c1
|
C24H22N2O4 402.450000 |
FBCAVRBOPFIRSK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50103144; PubChem:CID90676723
|
Local ready
Direct docking supported
|
|
E3L045788
BDB045788
|
BDBM50103145
O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1
|
C24H22N2O4 402.450000 |
ZBHWEQBYQZULIB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103145; PubChem:CID90676722
|
Local ready
Direct docking supported
|
|
E3L045789
BDB045789
|
BDBM50103146
O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12
|
C22H20N2O4 376.412000 |
WYKOTVVGSDPHLD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103146; PubChem:CID90676727
|
Local ready
Direct docking supported
|
|
E3L045790
BDB045790
|
BDBM50103147
O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
|
C23H14F6N2O4 496.363000 |
GNKPDTLLHLDJAY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103147; PubChem:CID118714604
|
Local ready
Direct docking supported
|
|
E3L045791
BDB045791
|
BDBM50103148
O=C(O)c1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C22H14ClF3N2O4 462.811000 |
DVDBEYNANPBGPM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103148; PubChem:CID118725344
|
Local ready
Direct docking supported
|
|
E3L045792
BDB045792
|
BDBM50103149
O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C22H14ClF3N2O4 462.811000 |
LOUUYASGVWWLFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50103149; PubChem:CID118725345
|
Local ready
Direct docking supported
|
|
E3L045793
BDB045793
|
BDBM50103150
O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C23H17F3N2O4 442.393000 |
WGEMFYPGQRNTAS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103150; PubChem:CID118725346
|
Local ready
Direct docking supported
|
|
E3L045794
BDB045794
|
BDBM50103151
O=C(O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C24H19F3N2O4 456.420000 |
XDZNFDLKOADAIR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103151; PubChem:CID118725347
|
Local ready
Direct docking supported
|
|
E3L045795
BDB045795
|
BDBM50103152
O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)c1
|
C28H22N2O4 450.494000 |
HLJNMNGILDJVBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103152; PubChem:CID101896436
|
Local ready
Direct docking supported
|
|
E3L045796
BDB045796
|
BDBM50103178
CSc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1
|
C23H20N2O4S 420.490000 |
IPEYXJWSWJYBLB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103178; PubChem:CID118725348
|
Local ready
Direct docking supported
|
|
E3L045797
BDB045797
|
BDBM50103179
O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)c1
|
C23H17F3N2O4S 474.460000 |
GJWAWLRBHUSCMC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103179; PubChem:CID118725349
|
Local ready
Direct docking supported
|
|
E3L045798
BDB045798
|
BDBM50103180
O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
|
C26H20N2O4 424.456000 |
MXUCGKHCNSQKER-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103180; PubChem:CID101896437
|
Local ready
Direct docking supported
|
|
E3L045799
BDB045799
|
BDBM50103182
Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
|
C26H26N2O4 430.504000 |
AIRHKPZJXSEZPQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103182; PubChem:CID101896434
|
Local ready
Direct docking supported
|
|
E3L045800
BDB045800
|
Apabetalone
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1
|
C20H22N2O5 370.405000 |
NETXMUIMUZJUTB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50103503; PubChem:CID135564749
|
Local ready
Direct docking supported
|