| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001921
BDB001921
|
7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
Nc1c(N2CCCC2)cc(Cl)c2nonc12
|
C10H11ClN4O 238.678000 |
BFOMXSQDGCECRY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM35371; PubChem:CID667215
|
Local ready
Direct docking supported
|
|
E3L001922
BDB001922
|
5-methoxy-6H-anthra[1,9-cd]isoxazol-6-one
COc1ccc2noc3c2c1C(=O)c1ccccc1-3
|
C15H9NO3 251.241000 |
FCRLYYQMRWSKIT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM35431; PubChem:CID774975
|
Local ready
Direct docking supported
|
|
E3L001923
BDB001923
|
5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one
CCOc1ccc2noc3c2c1C(=O)c1ccccc1-3
|
C16H11NO3 265.268000 |
UAOUQDXIWHQNEH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM35433; PubChem:CID672470
|
Local ready
Direct docking supported
|
|
E3L001924
BDB001924
|
Wye-354
COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1
|
C24H29N7O5 495.540000 |
IMXHGCRIEAKIBU-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM35587; PubChem:CID44219749
|
Local ready
Direct docking supported
|
|
E3L001925
BDB001925
|
BDBM35641
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
|
C24H23N5O2 413.481000 |
PFHKAGAZRDERTK-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35641; PubChem:CID44480711
|
Local ready
Direct docking supported
|
|
E3L001926
BDB001926
|
BDBM35642
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
|
C24H22ClN5O2 447.926000 |
AICUOEJPCSKION-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35642; PubChem:CID44481490
|
Local ready
Direct docking supported
|
|
E3L001927
BDB001927
|
Pyrimidylpyrrole, 9b
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1
|
C25H25N5O2 427.508000 |
CRTYIBGQZSHPSN-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35643; PubChem:CID44481768
|
Local ready
Direct docking supported
|
|
E3L001928
BDB001928
|
Pyrimidylpyrrole, 9c
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1
|
C26H27N5O2 441.535000 |
PDGBJOHNOOKHMI-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35644; PubChem:CID44481491
|
Local ready
Direct docking supported
|
|
E3L001929
BDB001929
|
Pyrimidylpyrrole, 9d
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
|
C24H22FN5O2 431.471000 |
JBFYCFLBEYQHNC-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35645; PubChem:CID44481769
|
Local ready
Direct docking supported
|
|
E3L001930
BDB001930
|
Pyrimidylpyrrole, 9e
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
|
C25H22F3N5O2 481.478000 |
YCXYNILFCBIHHV-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35646; PubChem:CID44481492
|
Local ready
Direct docking supported
|
|
E3L001931
BDB001931
|
Pyrimidylpyrrole, 9f
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1
|
C24H23N5O3 429.480000 |
LEZLIAHSOVEHCJ-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35647; PubChem:CID44482036
|
Local ready
Direct docking supported
|
|
E3L001932
BDB001932
|
Pyrimidylpyrrole, 10a
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1
|
C24H23N5O2 413.481000 |
PFHKAGAZRDERTK-NRFANRHFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35648; PubChem:CID44482037
|
Local ready
Direct docking supported
|
|
E3L001933
BDB001933
|
Pyrimidylpyrrole, 10c
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C24H22ClN5O2 447.926000 |
VGURFJZGZCVPTA-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35650; PubChem:CID44482038
|
Local ready
Direct docking supported
|
|
E3L001934
BDB001934
|
Pyrimidylpyrrole, 10d
Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1
|
C25H25N5O2 427.508000 |
UOENDEBKABBLDM-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35651; PubChem:CID44481494
|
Local ready
Direct docking supported
|
|
E3L001935
BDB001935
|
Pyrimidylpyrrole, 11a
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1
|
C25H24ClN5O2 461.953000 |
AKWQKQSOQHKIRO-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35653; PubChem:CID44482039
|
Local ready
Direct docking supported
|
|
E3L001936
BDB001936
|
Pyrimidylpyrrole, 11b
Cc1cnc(Nc2cccc(C)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C26H26ClN5O2 475.980000 |
UKLODWPLBDVRPZ-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35654; PubChem:CID44481495
|
Local ready
Direct docking supported
|
|
E3L001937
BDB001937
|
Pyrimidylpyrrole, 11c
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C25H23ClFN5O2 479.943000 |
JTYHHTUGNXKIGP-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35655; PubChem:CID44482040
|
Local ready
Direct docking supported
|
|
E3L001938
BDB001938
|
Pyrimidylpyrrole, 11d
Cc1cc(Cl)ccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1
|
C25H23Cl2N5O2 496.398000 |
MSOZBJDLTCXBAV-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35656; PubChem:CID44482041
|
Local ready
Direct docking supported
|
|
E3L001939
BDB001939
|
BDBM35657
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C24H20Cl2FN5O2 500.361000 |
WUTVMXLIGHTZJC-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35657; PubChem:CID11634725
|
Local ready
Direct docking supported
|
|
E3L001940
BDB001940
|
Pyrimidylpyrrole, 11f
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C24H20Cl2FN5O2 500.361000 |
ZSHFRMIXWYVCCL-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35658; PubChem:CID44482303
|
Local ready
Direct docking supported
|