| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047821
BDB047821
|
BDBM50184954
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H24ClF2N3O 455.936000 |
BAJACDAZJADWDF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184954; PubChem:CID127052836
|
Local ready
Direct docking supported
|
|
E3L047822
BDB047822
|
BDBM50184955
Cc1c(F)ccc(C(=O)Nc2cc(-c3cncnc3)ccc2N2CCN(C)CC2)c1Cl
|
C23H23ClFN5O 439.922000 |
YAWMNDGQFSPKNM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184955; PubChem:CID127048926
|
Local ready
Direct docking supported
|
|
E3L047823
BDB047823
|
BDBM50184956
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H24ClFN4O3 482.943000 |
OVQVBHOFYHZKAE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184956; PubChem:CID127048927
|
Local ready
Direct docking supported
|
|
E3L047824
BDB047824
|
BDBM50184957
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(N)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H26ClFN4O 452.961000 |
BTGNRDWCEWBDNG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184957; PubChem:CID127049251
|
Local ready
Direct docking supported
|
|
E3L047825
BDB047825
|
BDBM50184958
Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H24ClFN4O3 482.943000 |
WOMZPTLUOWHXDN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184958; PubChem:CID127049252
|
Local ready
Direct docking supported
|
|
E3L047826
BDB047826
|
BDBM50184959
Cc1c(F)ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)cc3)cc2N2CCN(C)CC2)c1Cl
|
C26H25ClFN3O3 481.955000 |
ISYLXJINPZPCBF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184959; PubChem:CID127049254
|
Local ready
Direct docking supported
|
|
E3L047827
BDB047827
|
BDBM50184960
Cc1c(F)ccc(C(=O)Nc2ccc(-c3ccncc3)cc2N2CCN(C)CC2)c1Cl
|
C24H24ClFN4O 438.934000 |
RFRZTJPNSKENRI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184960; PubChem:CID127052955
|
Local ready
Direct docking supported
|
|
E3L047828
BDB047828
|
BDBM50184961
Cc1c(F)ccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2N2CCN(C)CC2)c1Cl
|
C25H24ClFN4O3 482.943000 |
LGNBAVDYDKZVKP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184961; PubChem:CID127052956
|
Local ready
Direct docking supported
|
|
E3L047829
BDB047829
|
BDBM50184962
Cc1c(F)ccc(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2N2CCN(C)CC2)c1Cl
|
C25H26ClFN4O 452.961000 |
JKNBMDPRWBUIRK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184962; PubChem:CID127052957
|
Local ready
Direct docking supported
|
|
E3L047830
BDB047830
|
BDBM50184963
CN1CCN(c2ccc([N+](=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)CC1
|
C17H19FN4O4S 394.428000 |
PFLZCYDMTGTKRJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184963; PubChem:CID127052958
|
Local ready
Direct docking supported
|
|
E3L047831
BDB047831
|
BDBM50184964
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1
|
C18H22N4O5S 406.464000 |
KYEGUVDVMYZDDR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184964; PubChem:CID127052959
|
Local ready
Direct docking supported
|
|
E3L047832
BDB047832
|
BDBM50184965
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1OC
|
C19H24N4O6S 436.490000 |
SPVBEEBVLVDAMB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184965; PubChem:CID127052960
|
Local ready
Direct docking supported
|
|
E3L047833
BDB047833
|
BDBM50184966
COc1cc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c(OC)c1
|
C20H26N4O7S 466.516000 |
OLEFCHDGMJFFIW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184966; PubChem:CID127048933
|
Local ready
Direct docking supported
|
|
E3L047834
BDB047834
|
BDBM50184967
Cc1c(F)ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl
|
C19H20ClFN4O3 406.845000 |
BHAFKZYJOYGKLL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184967; PubChem:CID127048934
|
Local ready
Direct docking supported
|
|
E3L047835
BDB047835
|
BDBM50184968
COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
|
C19H22N4O4 370.409000 |
CUWVPDCPBIMKTB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184968; PubChem:CID2943337
|
Local ready
Direct docking supported
|
|
E3L047836
BDB047836
|
BDBM50184969
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)cc2F)CC1
|
C18H18F2N4O3 376.363000 |
KSNPYGMZTIUGFM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184969; PubChem:CID85721372
|
Local ready
Direct docking supported
|
|
E3L047837
BDB047837
|
BDBM50184970
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2Cl)CC1
|
C18H19ClN4O3 374.828000 |
SNMZUFWTWXCSCR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184970; PubChem:CID127048935
|
Local ready
Direct docking supported
|
|
E3L047838
BDB047838
|
PDK1/AurA-IN-1
O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1cnc[nH]1
|
C33H24F2N6O4 606.589000 |
XCPMMIISBZJPHR-OXTLUBNBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50185000; PubChem:CID124126397
|
Local ready
Direct docking supported
|
|
E3L047839
BDB047839
|
Brigatinib
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
|
C29H39ClN7O2P 584.105000 |
AILRADAXUVEEIR-UHFFFAOYSA-N | O14965, Q9HC35 | Aurora kinase A, ALK tyrosine kinase receptor, Echinoderm microtubule-associated protein-like 4 |
BindingDB, PubChem
BindingDB:BDBM50185140; PubChem:CID68165256
|
Local ready
Direct docking supported
|
|
E3L047840
BDB047840
|
Brigatinib Impurity 8
COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
|
C30H41ClN7O2P 598.132000 |
FXYPQFBJRKMLDS-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50185235; PubChem:CID68165414
|
Local ready
Direct docking supported
|