| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047981
BDB047981
|
BDBM50192280
COc1cc2c(Nc3cnc(NC(=O)c4ccc(Cc5ccccc5)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C34H34BrN7O4 684.595000 |
GIBRVDUATQDCGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192280; PubChem:CID44417816
|
Local ready
Direct docking supported
|
|
E3L047982
BDB047982
|
BDBM50192281
COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1
|
C28H30ClN7O3 548.047000 |
VORYRVZJHGILPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192281; PubChem:CID44408804
|
Local ready
Direct docking supported
|
|
E3L047983
BDB047983
|
BDBM50192282
CCCN(CCC)S(=O)(=O)c1ncc(C(=O)Nc2ncc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OC)cc34)cn2)cn1
|
C31H40N10O6S 680.792000 |
BXDOBQYUCLJNAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192282; PubChem:CID44417817
|
Local ready
Direct docking supported
|
|
E3L047984
BDB047984
|
BDBM50192283
COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN1CCCCC1
|
C28H31N7O4 529.601000 |
WHHFZOIADLFZRX-NRFANRHFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192283; PubChem:CID5494424
|
Local ready
Direct docking supported
|
|
E3L047985
BDB047985
|
BDBM50192829
C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O
|
C26H27NO5 433.504000 |
WZFMWAHUFRLQRH-XDJHFCHBSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50192829; PubChem:CID121269371
|
Local ready
Direct docking supported
|
|
E3L047986
BDB047986
|
BDBM50192831
CC(CCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O
|
C26H29NO5 435.520000 |
VGCXWBRYLPTPQG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50192831; PubChem:CID121277093
|
Local ready
Direct docking supported
|
|
E3L047987
BDB047987
|
BDBM50192835
CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1
|
C26H27NO5 433.504000 |
SCHIHSWLJKKKDG-IRLDBZIGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50192835; PubChem:CID121277018
|
Local ready
Direct docking supported
|
|
E3L047988
BDB047988
|
BDBM50192858
COc1cc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc(OC)c1OC
|
C21H19N3O4 377.400000 |
CGXHFSJDSWAEMT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192858; PubChem:CID118723185
|
Local ready
Direct docking supported
|
|
E3L047989
BDB047989
|
BDBM50193010
Cc1c(C(O)=Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC(C)CO1
|
C22H32N4O4 416.522000 |
SUECNHKSTARKJF-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50193010; PubChem:CID118511070
|
Local ready
Direct docking supported
|
|
E3L047990
BDB047990
|
BDBM50193011
Cc1c(C(O)=Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C(C)C)CC1
|
C25H36N4O3 440.588000 |
HRTYJBLUZWWQGU-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50193011; PubChem:CID118511061
|
Local ready
Direct docking supported
|
|
E3L047991
BDB047991
|
BDBM50193012
C=CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1
|
C29H27N7O4S 569.647000 |
HTVKDECMTMXAPH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193012; PubChem:CID132005219
|
Local ready
Direct docking supported
|
|
E3L047992
BDB047992
|
BDBM50193014
CCC(=O)N1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)CC1
|
C27H31N7O4S 549.657000 |
NIWBUWMZKOEJTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193014; PubChem:CID132005246
|
Local ready
Direct docking supported
|
|
E3L047993
BDB047993
|
BDBM50193016
C=CC(=O)NC1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)CC1
|
C28H31N7O4S 561.668000 |
MMNDBWXSYKZKAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193016; PubChem:CID132005323
|
Local ready
Direct docking supported
|
|
E3L047994
BDB047994
|
BDBM50193017
CN1C(=O)c2ccccc2N(C)c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc21
|
C19H18N6O3S 410.459000 |
KCMYPBPMTXEKNF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193017; PubChem:CID118684133
|
Local ready
Direct docking supported
|
|
E3L047995
BDB047995
|
BDBM50193020
C=CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)c1
|
C29H27N7O4S 569.647000 |
OETFNYXAELUUOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193020; PubChem:CID132005326
|
Local ready
Direct docking supported
|
|
E3L047996
BDB047996
|
BDBM50193023
C=CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)cc1
|
C29H27N7O4S 569.647000 |
JQBQAGHSJMBPSH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193023; PubChem:CID132005220
|
Local ready
Direct docking supported
|
|
E3L047997
BDB047997
|
BDBM50193024
C=CC(=O)N1CCN(S(=O)(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)CC1
|
C27H29N7O4S 547.641000 |
VBIFOMKCIFTINW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193024; PubChem:CID132005229
|
Local ready
Direct docking supported
|
|
E3L047998
BDB047998
|
BDBM50193025
Cc1cc(S(N)(=O)=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
|
C20H20N6O3S 424.486000 |
ACQZFXBAXXIVCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193025; PubChem:CID68034365
|
Local ready
Direct docking supported
|
|
E3L047999
BDB047999
|
BDBM50193030
Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1N2C
|
C20H20N6O3S 424.486000 |
VHNNKJCKILGDNA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193030; PubChem:CID90431726
|
Local ready
Direct docking supported
|
|
E3L048000
BDB048000
|
PI3Kdelta/gamma-IN-1
Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC(O)CC4)c3)nc1N2C
|
C25H28N6O4S 508.604000 |
GHKMIOAEPALCFS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193031; PubChem:CID132005225
|
Local ready
Direct docking supported
|