| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055081
BDB055081
|
BDBM50401010
CCCCCCCN(CCc1ccc(OCC(=O)O)cc1)c1nc2ccccc2o1
|
C24H30N2O4 410.514000 |
USWKZMJJTRLMOO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50401010; PubChem:CID56945263
|
Local ready
Direct docking supported
|
|
E3L055082
BDB055082
|
BDBM50401011
CCCCCCCN(CCc1ccc(O[C@@H](C)C(=O)O)cc1)c1nc2ccccc2o1
|
C25H32N2O4 424.541000 |
OBXVXIAVXHBUKR-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50401011; PubChem:CID56945386
|
Local ready
Direct docking supported
|
|
E3L055083
BDB055083
|
BDBM50401012
CCCCCCCN(CCc1ccc(O[C@H](C)C(=O)O)cc1)c1nc2ccccc2o1
|
C25H32N2O4 424.541000 |
OBXVXIAVXHBUKR-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50401012; PubChem:CID56945168
|
Local ready
Direct docking supported
|
|
E3L055084
BDB055084
|
BDBM50401013
CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)O)cc1)c1nc2ccccc2o1
|
C26H34N2O4 438.568000 |
MMVUCPZZXMPIPE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401013; PubChem:CID18766436
|
Local ready
Direct docking supported
|
|
E3L055085
BDB055085
|
BDBM50401152
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
|
C15H18N6O2S 346.416000 |
IVYWKCAOPCHVMX-UHFFFAOYSA-N | O14965, P51617, Q13233, Q99570 | Mitogen-activated protein kinase kinase kinase 1, Phosphoinositide 3-kinase regulatory subunit 4, Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401152; PubChem:CID44557921
|
Local ready
Direct docking supported
|
|
E3L055086
BDB055086
|
BDBM50401285
CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
|
C28H24ClFN6O3S 579.057000 |
BSBQPLUISHJULY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50401285; PubChem:CID25206346
|
Local ready
Direct docking supported
|
|
E3L055087
BDB055087
|
BDBM50401418
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5csnn5)[nH]c34)CC2)no1
|
C17H17BrN8OS 461.349000 |
LROWJYHODFXDRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401418; PubChem:CID71459751
|
Local ready
Direct docking supported
|
|
E3L055088
BDB055088
|
BDBM50401419
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5nccn5C)[nH]c34)CC2)no1
|
C19H21ClN8O 412.885000 |
FHFPRPXKXOAFEL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401419; PubChem:CID71461470
|
Local ready
Direct docking supported
|
|
E3L055089
BDB055089
|
BDBM50401420
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cc(C)on5)[nH]c34)CC2)no1
|
C19H20ClN7O2 413.869000 |
HKDWDDUKCGQWFT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401420; PubChem:CID136216650
|
Local ready
Direct docking supported
|
|
E3L055090
BDB055090
|
BDBM50401421
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
|
C22H23Cl2N7 456.381000 |
AKJBLKUZXRMECW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401421; PubChem:CID71454279
|
Local ready
Direct docking supported
|
|
E3L055091
BDB055091
|
BDBM50401422
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccnn5C)[nH]c34)CC2)no1
|
C19H21ClN8O 412.885000 |
FKOFULIQPPZCPA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401422; PubChem:CID136216651
|
Local ready
Direct docking supported
|
|
E3L055092
BDB055092
|
BDBM50401423
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(OCCN(C)C)c5)[nH]c34)CC2)no1
|
C25H30ClN7O2 496.015000 |
WWBDOTXIOLYQNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401423; PubChem:CID71454002
|
Local ready
Direct docking supported
|
|
E3L055093
BDB055093
|
BDBM50401424
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccn(C)n5)[nH]c34)CC2)no1
|
C19H21ClN8O 412.885000 |
MASXYJLOEJLQLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401424; PubChem:CID136216652
|
Local ready
Direct docking supported
|
|
E3L055094
BDB055094
|
BDBM50401425
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncn(C)n4)CC3)c2[nH]1
|
C19H23ClN10 426.916000 |
PYHJSQTURRFLIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401425; PubChem:CID71454278
|
Local ready
Direct docking supported
|
|
E3L055095
BDB055095
|
BDBM50401426
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5F)[nH]c34)CC2)no1
|
C26H30ClFN8O 525.032000 |
OKSCRFTUADBBFT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401426; PubChem:CID71450374
|
Local ready
Direct docking supported
|
|
E3L055096
BDB055096
|
BDBM50401427
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccoc5)[nH]c34)CC2)no1
|
C19H19ClN6O2 398.854000 |
QHGNCLOEPNSKIC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401427; PubChem:CID71463199
|
Local ready
Direct docking supported
|
|
E3L055097
BDB055097
|
BDBM50401428
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(CN(C)C)c5)[nH]c34)CC2)no1
|
C24H28ClN7O 465.989000 |
RTQTUVNKWOOFQL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401428; PubChem:CID71461168
|
Local ready
Direct docking supported
|
|
E3L055098
BDB055098
|
BDBM50401429
Cc1nc(CN2CCN(c3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)CC2)no1
|
C19H22ClN9O 427.900000 |
ZYQKMYRXVHUATB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401429; PubChem:CID71463198
|
Local ready
Direct docking supported
|
|
E3L055099
BDB055099
|
BDBM50401430
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(CN6CCOCC6)c5)[nH]c34)CC2)no1
|
C26H30ClN7O2 508.026000 |
XBYOPVXFZZWWMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401430; PubChem:CID71459408
|
Local ready
Direct docking supported
|
|
E3L055100
BDB055100
|
BDBM50401431
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cnn(CC(F)F)c5)[nH]c34)CC2)no1
|
C20H21ClF2N8O 462.892000 |
GGKCZTMLWIGVAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401431; PubChem:CID71461471
|
Local ready
Direct docking supported
|