| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056061
BDB056061
|
BDBM50435473
CCOC(=O)c1c(C(C#N)C=N)c2ccc(Cl)c(Cl)c2n1C
|
C15H13Cl2N3O2 338.194000 |
DXZRBHUCOHBAHP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50435473; PubChem:CID91899919
|
Local ready
Direct docking supported
|
|
E3L056062
BDB056062
|
BDBM50435692
CCN(CC)Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(S(C)(=O)=O)n3)[nH]c2c1
|
C20H23ClN8O2S 474.978000 |
UXCOLBRRXSIGNA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435692; PubChem:CID136234658
|
Local ready
Direct docking supported
|
|
E3L056063
BDB056063
|
BDBM50435693
Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(S(C)(=O)=O)n3)[nH]c2c1
|
C16H14ClN7O2S 403.855000 |
WAZPAWHYQGKSDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435693; PubChem:CID136126939
|
Local ready
Direct docking supported
|
|
E3L056064
BDB056064
|
BDBM50435694
CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
|
C20H21ClN8O3S 488.961000 |
GMHVMADKSUUISJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435694; PubChem:CID136126938
|
Local ready
Direct docking supported
|
|
E3L056065
BDB056065
|
BDBM50435695
CCN(CC)Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(Sc4ccc(NC(=O)C5CC5)cc4)n3)[nH]c2c1
|
C29H30ClN9OS 588.141000 |
CXKZYGHFQYYGMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435695; PubChem:CID136126930
|
Local ready
Direct docking supported
|
|
E3L056066
BDB056066
|
BDBM50435696
CCN(CC)Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(SC)n3)[nH]c2c1
|
C20H23ClN8S 442.980000 |
UHYYTYYLATYSHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435696; PubChem:CID136126936
|
Local ready
Direct docking supported
|
|
E3L056067
BDB056067
|
BDBM50435698
CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1
|
C16H14ClN7S 371.857000 |
MFHCYEYXDLMXRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435698; PubChem:CID136126929
|
Local ready
Direct docking supported
|
|
E3L056068
BDB056068
|
BDBM50435699
Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(C)n3)[nH]c2c1
|
C16H14ClN7 339.790000 |
OJBKYYOYGSVDKS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435699; PubChem:CID136126928
|
Local ready
Direct docking supported
|
|
E3L056069
BDB056069
|
BDBM50435700
O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4ccc(CN5CCCCC5)cc4[nH]3)n2)cc1)C1CC1
|
C30H30ClN9OS 600.152000 |
FVYYEKOHBWXBII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435700; PubChem:CID136126927
|
Local ready
Direct docking supported
|
|
E3L056070
BDB056070
|
BDBM50435701
O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)n2)cc1)C1CC1
|
C29H28ClN9O2S 602.124000 |
GVWOZWUDWKTPQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435701; PubChem:CID136126924
|
Local ready
Direct docking supported
|
|
E3L056071
BDB056071
|
BDBM50435702
CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
|
C20H21ClN8OS 456.963000 |
DLZFRDYBPCZDDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435702; PubChem:CID136126923
|
Local ready
Direct docking supported
|
|
E3L056072
BDB056072
|
BDBM50435703
Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
|
C20H21ClN8O 424.896000 |
NYFLTGXJAHDIGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435703; PubChem:CID136126922
|
Local ready
Direct docking supported
|
|
E3L056073
BDB056073
|
BDBM50435704
Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(Sc4ccc(NC(=O)C5CC5)cc4)n3)[nH]c2c1
|
C25H21ClN8OS 517.018000 |
ZNDYJPWTJIVRSD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435704; PubChem:CID136234657
|
Local ready
Direct docking supported
|
|
E3L056074
BDB056074
|
BDBM50436041
O=C(NC1CCCCC1)C(Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C22H24ClN3O2 397.906000 |
PYBNFOLOUUXRTM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436041; PubChem:CID71722565
|
Local ready
Direct docking supported
|
|
E3L056075
BDB056075
|
BDBM50436042
O=C(NCCc1ccccc1)C(Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C24H22ClN3O2 419.912000 |
OKGUJMNDVYLPNY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436042; PubChem:CID71723197
|
Local ready
Direct docking supported
|
|
E3L056076
BDB056076
|
BDBM50436043
O=C(NC1CCCCC1)C(c1ccc(Br)cc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C21H21BrClN3O2 462.775000 |
ZHFIILFNLGRLPW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436043; PubChem:CID71722718
|
Local ready
Direct docking supported
|
|
E3L056077
BDB056077
|
BDBM50436044
CC(C)(C)NC(=O)C(Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C20H22ClN3O2 371.868000 |
VLUXRHRHCFJTLC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436044; PubChem:CID71722566
|
Local ready
Direct docking supported
|
|
E3L056078
BDB056078
|
BDBM50436045
O=C(NC1CCCCC1)C(c1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C22H21ClF3N3O2 451.876000 |
XWCXPGGKTKSHBS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436045; PubChem:CID71722717
|
Local ready
Direct docking supported
|
|
E3L056079
BDB056079
|
BDBM50436046
O=C(NCc1ccccc1)C(Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21
|
C23H20ClN3O2 405.885000 |
IULOSGUWEJIXAA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436046; PubChem:CID71722568
|
Local ready
Direct docking supported
|
|
E3L056080
BDB056080
|
BDBM50436047
O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
|
C25H17Cl2N3O2 462.336000 |
QZJRNGXHRQJBJH-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50436047; PubChem:CID44825260
|
Local ready
Direct docking supported
|