| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047461
BDB047461
|
BDBM50173370
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cccnc32)cc1
|
C25H21F3N2O3 454.448000 |
NXBPUZMZABUZCP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50173370; PubChem:CID44404734
|
Local ready
Direct docking supported
|
|
E3L047462
BDB047462
|
Tak-715
CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
|
C24H21N3OS 399.519000 |
HEKAIDKUDLCBRU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50173609; PubChem:CID9952773
|
Local ready
Direct docking supported
|
|
E3L047463
BDB047463
|
BDBM50174230
O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1ccccc1
|
C16H14N4OS 310.382000 |
QIXAJGKXBNMVDN-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50174230; PubChem:CID684474
|
Local ready
Direct docking supported
|
|
E3L047464
BDB047464
|
BDBM50174687
Cc1ccc(C(=O)Nc2ncc(Nc3ncnc4c3NCc3ccccc3O4)cn2)cc1
|
C23H19N7O2 425.452000 |
BJOYZCHWZJWIDO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174687; PubChem:CID44405901
|
Local ready
Direct docking supported
|
|
E3L047465
BDB047465
|
BDBM50174688
COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4ccc(C)cc4)nc3)ncnc1O2
|
C24H21N7O3 455.478000 |
RTVHXNNSXUEZHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174688; PubChem:CID44405842
|
Local ready
Direct docking supported
|
|
E3L047466
BDB047466
|
BDBM50174689
COc1cc2c(cc1OC)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2
|
C24H21N7O4 471.477000 |
ZCVIYQRNLPSYMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174689; PubChem:CID44405895
|
Local ready
Direct docking supported
|
|
E3L047467
BDB047467
|
BDBM50174690
COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc1O2
|
C23H19N7O3 441.451000 |
VUOWNDJTDONJAI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174690; PubChem:CID44405872
|
Local ready
Direct docking supported
|
|
E3L047468
BDB047468
|
BDBM50174691
COc1ccc2c(c1)CNc1c(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)ncnc1O2
|
C23H18FN7O3 459.441000 |
NFZZVHIHSPLINV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174691; PubChem:CID44405843
|
Local ready
Direct docking supported
|
|
E3L047469
BDB047469
|
BDBM50174692
COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2
|
C23H19N7O3 441.451000 |
DVAGSBYMQCUQPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174692; PubChem:CID11604623
|
Local ready
Direct docking supported
|
|
E3L047470
BDB047470
|
BDBM50174693
CCN(CC)c1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2
|
C26H26N8O2 482.548000 |
KWGJZOFZKMYQLL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174693; PubChem:CID44405896
|
Local ready
Direct docking supported
|
|
E3L047471
BDB047471
|
BDBM50174694
COc1cc2c(cc1OC)Oc1ncnc(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)c1NC2
|
C24H20FN7O4 489.467000 |
JGAIDCNKHFJDFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174694; PubChem:CID44405863
|
Local ready
Direct docking supported
|
|
E3L047472
BDB047472
|
BDBM50174695
O=C(Nc1ncc(Nc2ncnc3c2NCc2ccccc2O3)cn1)c1ccccc1
|
C22H17N7O2 411.425000 |
RPOCGEOKWIOQID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174695; PubChem:CID44405869
|
Local ready
Direct docking supported
|
|
E3L047473
BDB047473
|
BDBM50174696
COc1cccc2c1Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2
|
C23H19N7O3 441.451000 |
RLALGYZYMCYTDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174696; PubChem:CID44405803
|
Local ready
Direct docking supported
|
|
E3L047474
BDB047474
|
BDBM50174697
COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)c1NC2
|
C23H18FN7O3 459.441000 |
NTWKVWULCGAPRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174697; PubChem:CID44405844
|
Local ready
Direct docking supported
|
|
E3L047475
BDB047475
|
BDBM50174698
COc1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccc(F)cc4)nc3)c1NC2
|
C23H18FN7O3 459.441000 |
ZEBIMTJXMINOMZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174698; PubChem:CID44405864
|
Local ready
Direct docking supported
|
|
E3L047476
BDB047476
|
BDBM50174699
COc1cccc2c1CNc1c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc1O2
|
C23H19N7O3 441.451000 |
YVHBZMAYDURZMQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174699; PubChem:CID44405878
|
Local ready
Direct docking supported
|
|
E3L047477
BDB047477
|
BDBM50174700
COc1cc2c(cc1OC)Oc1ncnc(Nc3cnc(NC(=O)c4ccc(C)cc4)nc3)c1NC2
|
C25H23N7O4 485.504000 |
ZPAZKHJBFRESLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50174700; PubChem:CID44405906
|
Local ready
Direct docking supported
|
|
E3L047478
BDB047478
|
MK-5108
O=C(O)C1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1
|
C22H21ClFN3O3S 461.946000 |
LCVIRAZGMYMNNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50175305; PubChem:CID24748204
|
Local ready
Direct docking supported
|
|
E3L047479
BDB047479
|
2-(4-Chloro-phenoxy)-2-methyl-3-phenyl-propionic acid
CC(Cc1ccccc1)(Oc1ccc(Cl)cc1)C(=O)O
|
C16H15ClO3 290.746000 |
ZXONOFTUKAERMX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50175498; PubChem:CID44404190
|
Local ready
Direct docking supported
|
|
E3L047480
BDB047480
|
BDBM50175504
CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc32)cc1)C(=O)O
|
C27H28N2O4S 476.598000 |
MEXSIUKPEDTXMV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50175504; PubChem:CID44404189
|
Local ready
Direct docking supported
|