| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057441
BDB057441
|
BDBM50469182
COc1ccc(C(=O)c2nc(Nc3cc(C)[nH]n3)c3ccc(Cl)cc3n2)cc1
|
C20H16ClN5O2 393.834000 |
QGNHUACWVGGQBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469182; PubChem:CID145988464
|
Local ready
Direct docking supported
|
|
E3L057442
BDB057442
|
BDBM50469183
Cc1cc(Nc2nc(-c3ccccc3)nc3c([N+](=O)[O-])cccc23)n[nH]1
|
C18H14N6O2 346.350000 |
PXYVRCNTYNUHJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469183; PubChem:CID145979752
|
Local ready
Direct docking supported
|
|
E3L057443
BDB057443
|
BDBM50469184
COc1cccc2c(Nc3cc(C)[nH]n3)nc(-c3ccccc3)nc12
|
C19H17N5O 331.379000 |
AKXYAVRNJXIEON-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469184; PubChem:CID145987193
|
Local ready
Direct docking supported
|
|
E3L057444
BDB057444
|
BDBM50469185
Cc1cc(Nc2nc(-c3ccc4ccccc4c3)nc3ccccc23)n[nH]1
|
C22H17N5 351.413000 |
FDGBTWXEXNHPRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469185; PubChem:CID9946460
|
Local ready
Direct docking supported
|
|
E3L057445
BDB057445
|
BDBM50469186
Cc1ccc(C(=O)c2nc(Nc3cc(C)[nH]n3)c3ccc(Cl)cc3n2)cc1
|
C20H16ClN5O 377.835000 |
XZQZGIIDBZOCRI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469186; PubChem:CID145993303
|
Local ready
Direct docking supported
|
|
E3L057446
BDB057446
|
2-benzyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
Cc1cc(Nc2nc(Cc3ccccc3)nc3ccccc23)n[nH]1
|
C19H17N5 315.380000 |
XXWMMELRJBLCQS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469187; PubChem:CID145980364
|
Local ready
Direct docking supported
|
|
E3L057447
BDB057447
|
BDBM50469188
COc1ccc2c(Nc3cc(C)[nH]n3)nc(-c3ccccc3)nc2c1
|
C19H17N5O 331.379000 |
GOYMLVLLBBEUKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469188; PubChem:CID145982088
|
Local ready
Direct docking supported
|
|
E3L057448
BDB057448
|
BDBM50469189
CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
|
C26H32N8 456.598000 |
PRJNNPMIUGYOST-MEMLXQNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50469189
|
Local ready
Direct docking supported
|
|
E3L057449
BDB057449
|
BDBM50469391
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1C2C(C)c1nn[nH]n1
|
C29H31N7 477.616000 |
XMUYVBKMRNFDDP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469391; PubChem:CID145992093
|
Local ready
Direct docking supported
|
|
E3L057450
BDB057450
|
BDBM50469392
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C30H29N5O2 491.595000 |
WYGJUFNQDNBQMH-XHPQRKPJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50469392
|
Local ready
Direct docking supported
|
|
E3L057451
BDB057451
|
BDBM50469393
CCc1nc2ccccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C28H24N4O3 464.525000 |
BJPPJIQYEPXKIQ-YZSQISJMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469393; PubChem:CID136265679
|
Local ready
Direct docking supported
|
|
E3L057452
BDB057452
|
BDBM50469394
CCCc1nc2ccccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H26N4O3 478.552000 |
MSIRBAJHROCEHX-OVVQPSECSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469394; PubChem:CID136265684
|
Local ready
Direct docking supported
|
|
E3L057453
BDB057453
|
BDBM50469395
CCCc1nc2c(CO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C30H28N4O4 508.578000 |
LTNNJWACHBZIFJ-OVVQPSECSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469395; PubChem:CID145982467
|
Local ready
Direct docking supported
|
|
E3L057454
BDB057454
|
BDBM50469396
CCCc1nc2c(NS(C)(=O)=O)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C30H29N5O5S 571.659000 |
INFSWHCVCBIGBA-OVVQPSECSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469396; PubChem:CID136376542
|
Local ready
Direct docking supported
|
|
E3L057455
BDB057455
|
BDBM50469397
CCCc1nc(-c2ccccc2)cn1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C31H28N4O3 504.590000 |
FIOWBQBOVDGKBP-ZTKZIYFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469397; PubChem:CID136376560
|
Local ready
Direct docking supported
|
|
E3L057456
BDB057456
|
FK-614
CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1
|
C21H23Cl2N3O3S 468.406000 |
UYGZODVVDUIDDQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469398; PubChem:CID9869229
|
Local ready
Direct docking supported
|
|
E3L057457
BDB057457
|
BDBM50469399
CCCc1nc2c(C(=O)NCCO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C32H31N5O5 565.630000 |
AYUWEBLWVHNGJE-TURZUDJPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469399; PubChem:CID136376567
|
Local ready
Direct docking supported
|
|
E3L057458
BDB057458
|
BDBM50469400
CCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C30H28N4O3 492.579000 |
KWALRLFFHWLMRU-ZXVVBBHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469400; PubChem:CID135567387
|
Local ready
Direct docking supported
|
|
E3L057459
BDB057459
|
BDBM50469401
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C29H27N5O3 493.567000 |
ARLYERVLXSKRKH-XIEYBQDHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469401; PubChem:CID136364662
|
Local ready
Direct docking supported
|
|
E3L057460
BDB057460
|
BDBM50469402
CCCc1nc2c(C(C)(C)O)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1
|
C32H32N4O4 536.632000 |
WFEMAPGJURPJNW-TURZUDJPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50469402; PubChem:CID145991622
|
Local ready
Direct docking supported
|