| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054441
BDB054441
|
BDBM50377309
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2CN(C(=O)OCC(C)C)CCC2CC(=O)O)c1
|
C30H36N2O6 520.626000 |
IMJNPIXMADXNLJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377309; PubChem:CID44449101
|
Local ready
Direct docking supported
|
|
E3L054442
BDB054442
|
BDBM50377310
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)Oc3ccccc3)C2)c1
|
C32H30N2O6 538.600000 |
YWFYFXSFZPEXLO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377310; PubChem:CID25167766
|
Local ready
Direct docking supported
|
|
E3L054443
BDB054443
|
BDBM50377311
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)OCC(C)C)C2)c1
|
C30H34N2O6 518.610000 |
PBQCEEAEDZVCNH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377311; PubChem:CID44449125
|
Local ready
Direct docking supported
|
|
E3L054444
BDB054444
|
BDBM50377312
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2CN(C(=O)OCC(C)C)CCC2C(=O)O)c1
|
C30H36N2O6 520.626000 |
AESPUDBVEVJROB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377312; PubChem:CID44449127
|
Local ready
Direct docking supported
|
|
E3L054445
BDB054445
|
BDBM50377313
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2CN(C(=O)OCC(C)C)CCC2C(=O)O)c1
|
C29H34N2O6 506.599000 |
XIUDSCBTVUHYMN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377313; PubChem:CID44449128
|
Local ready
Direct docking supported
|
|
E3L054446
BDB054446
|
BDBM50377314
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2CN(C(=O)OCC(C)C)CCC2C(=O)O)cc1
|
C31H38N2O6 534.653000 |
POTOMCOFEWNITE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377314; PubChem:CID44449161
|
Local ready
Direct docking supported
|
|
E3L054447
BDB054447
|
BDBM50377315
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2CN(C(=O)OCC(C)C)CCC2C(=O)O)cc1
|
C30H36N2O6 520.626000 |
KIAYYQXSCFRAQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377315; PubChem:CID44449163
|
Local ready
Direct docking supported
|
|
E3L054448
BDB054448
|
BDBM50377316
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)c1
|
C30H34N2O6 518.610000 |
RGJJVFKNBSTCCV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377316; PubChem:CID44449192
|
Local ready
Direct docking supported
|
|
E3L054449
BDB054449
|
BDBM50377317
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(C(=O)O)CCN(Cc3ccccc3)C2)c1
|
C31H30N2O4 494.591000 |
RYWMZXARDFYYQX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377317; PubChem:CID44449220
|
Local ready
Direct docking supported
|
|
E3L054450
BDB054450
|
BDBM50377318
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1
|
C31H36N2O6 532.637000 |
KFTRRHRBOGHGRG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377318; PubChem:CID10414708
|
Local ready
Direct docking supported
|
|
E3L054451
BDB054451
|
BDBM50377319
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1
|
C30H34N2O6 518.610000 |
HBXBYXYZOOJNOL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377319; PubChem:CID44448767
|
Local ready
Direct docking supported
|
|
E3L054452
BDB054452
|
BDBM50377320
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1
|
C29H32N2O6 504.583000 |
HBSFVYPKDLELGG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377320; PubChem:CID44448801
|
Local ready
Direct docking supported
|
|
E3L054453
BDB054453
|
BDBM50377321
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCC(C)C)CCC2C(=O)O)c1
|
C30H34N2O6 518.610000 |
NOVRKZNBTPUNRI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377321; PubChem:CID10324316
|
Local ready
Direct docking supported
|
|
E3L054454
BDB054454
|
BDBM50377322
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)c1
|
C33H32N2O6 552.627000 |
GWELIVAUXVQTDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377322; PubChem:CID44449074
|
Local ready
Direct docking supported
|
|
E3L054455
BDB054455
|
BDBM50377962
[C]C([C])=[C][C][C@H]1[C][C@@]23[C][C@@H]([C][C]=C([C])[C])C([C])([C])[C@@]([C][C]=C([C])[C])(C(=O)C(C(=O)c4ccc([O])c([O])c4)=C2OC1([C])[C])C3=O
|
C38H5O6 557.452000 |
QMJWRQJZTHMQOL-LPSZMIQCSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50377962
|
Local ready
Direct docking supported
|
|
E3L054456
BDB054456
|
Pha-793887
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
|
C19H31N5O2 361.490000 |
HUXYBQXJVXOMKX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50378657; PubChem:CID46191454
|
Local ready
Direct docking supported
|
|
E3L054457
BDB054457
|
Sinefungin
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
|
C15H23N7O5 381.393000 |
LMXOHSDXUQEUSF-YECHIGJVSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50378739; PubChem:CID65482
|
Local ready
Direct docking supported
|
|
E3L054458
BDB054458
|
BDBM50378774
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC3CCCO3)cc2-c2ccnc3[nH]ccc23)cc1
|
C28H26N6O2 478.556000 |
UVGSPPQDSXBTJW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50378774; PubChem:CID57398440
|
Local ready
Direct docking supported
|
|
E3L054459
BDB054459
|
Cep-11981
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3
|
C28H27N7O 477.572000 |
AEULIVPVIDOLIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379186; PubChem:CID11751922
|
Local ready
Direct docking supported
|
|
E3L054460
BDB054460
|
BDBM50379488
CNC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C
|
C23H30N8O 434.548000 |
AKBNORYPCWJWFZ-QXGSTGNESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379488
|
Local ready
Direct docking supported
|