| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060541
BDB060541
|
BDBM50556680
O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1cccc(Cl)c1
|
C24H23ClN6O2 462.941000 |
OMUPVSAQBBZOJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556680; PubChem:CID162656846
|
Local ready
Direct docking supported
|
|
E3L060542
BDB060542
|
BDBM50556681
O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCCCC3)cc2)c[nH]1)c1cccc(Cl)c1
|
C25H25ClN6O 460.969000 |
QIEUKJRYCZYZDC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556681; PubChem:CID162674388
|
Local ready
Direct docking supported
|
|
E3L060543
BDB060543
|
BDBM50556682
Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCOCC4)cc3)c[nH]2)n1
|
C22H23ClN8O 450.934000 |
JCGXVWCLMLBCHZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556682; PubChem:CID162673044
|
Local ready
Direct docking supported
|
|
E3L060544
BDB060544
|
BDBM50556683
COc1ccc(C(=O)Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCCCC4)cc3)c[nH]2)cc1
|
C26H28N6O2 456.550000 |
HXSHQBSMIYZXJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556683; PubChem:CID162652297
|
Local ready
Direct docking supported
|
|
E3L060545
BDB060545
|
BDBM50556684
O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCCCC3)cc2)c[nH]1)c1ccc(Cl)cc1
|
C25H25ClN6O 460.969000 |
DTQKCFFDAKMEEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556684; PubChem:CID162676110
|
Local ready
Direct docking supported
|
|
E3L060546
BDB060546
|
Keap1-Nrf2-IN-5
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O
|
C23H30N4O6S 490.582000 |
URYMNBQTISFUDY-QRVBRYPASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50556867; PubChem:CID155289301
|
Local ready
Direct docking supported
|
|
E3L060547
BDB060547
|
BDBM50557185
CN(C)CCCOc1ccc2nc3c(nc2c1)N(CCCN(C)C)CC1c2ccccc2CCN31
|
C28H38N6O 474.653000 |
RWVKBCCWPSQJBM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557185; PubChem:CID162666493
|
Local ready
Direct docking supported
|
|
E3L060548
BDB060548
|
BDBM50557786
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21
|
C29H29N3O5S 531.634000 |
BSKLWHSTAUOABL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557786; PubChem:CID86758441
|
Local ready
Direct docking supported
|
|
E3L060549
BDB060549
|
BDBM50557787
Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21
|
C25H26N2O3 402.494000 |
HAUIQQVRNSGIBT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557787; PubChem:CID162669352
|
Local ready
Direct docking supported
|
|
E3L060550
BDB060550
|
BDBM50557789
Cn1c(-c2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21
|
C24H24N2O2 372.468000 |
BJNXJEAIZGYIIW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557789; PubChem:CID162671750
|
Local ready
Direct docking supported
|
|
E3L060551
BDB060551
|
BDBM50557790
Cc1nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc2n1C
|
C19H22N2O2 310.397000 |
LQWRSCHPPDJXLC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50557790
|
Local ready
Direct docking supported
|
|
E3L060552
BDB060552
|
BDBM50557791
CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
|
C18H13Cl2NO2 346.213000 |
AORPOSMNKUXLSG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557791; PubChem:CID162651541
|
Local ready
Direct docking supported
|
|
E3L060553
BDB060553
|
BDBM50557792
CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
|
C19H15Cl2NO2 360.240000 |
MQIIVYOAOLYJSB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557792; PubChem:CID162673036
|
Local ready
Direct docking supported
|
|
E3L060554
BDB060554
|
BDBM50557793
CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
|
C20H17Cl2NO2 374.267000 |
JMDQFVFDWAYBOU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557793; PubChem:CID162648606
|
Local ready
Direct docking supported
|
|
E3L060555
BDB060555
|
N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
|
C18H14ClNO2 311.768000 |
NGPQXUQHQLUWLR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557794; PubChem:CID162647046
|
Local ready
Direct docking supported
|
|
E3L060556
BDB060556
|
N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide
CC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1
|
C18H14ClNO2 311.768000 |
WQLXPOZIXPXNJJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557795; PubChem:CID162657039
|
Local ready
Direct docking supported
|
|
E3L060557
BDB060557
|
BDBM50557797
CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1
|
C18H19ClO3 318.800000 |
WZJWUJYTVZDYAZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50557797; PubChem:CID162675657
|
Local ready
Direct docking supported
|
|
E3L060558
BDB060558
|
BDBM50557798
CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1
|
C18H20O3 284.355000 |
WSVZSZVSZTYTCC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50557798
|
Local ready
Direct docking supported
|
|
E3L060559
BDB060559
|
BDBM50558065
Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)C[C@H]2C
|
C23H21ClN6 416.916000 |
SBRJLPKKZHHGCO-CQSZACIVSA-N | Q12830, Q92793 | Nucleosome-remodeling factor subunit BPTF, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50558065; PubChem:CID71466419
|
Local ready
Direct docking supported
|
|
E3L060560
BDB060560
|
(10e)-9-Oxohexadec-10-enoic acid
CCCCC/C=C/C(=O)CCCCCCCC(=O)O
|
C16H28O3 268.397000 |
UNUKMHHAQBXDMO-FMIVXFBMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50558882; PubChem:CID24801247
|
Local ready
Direct docking supported
|