| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001941
BDB001941
|
Pyrimidylpyrrole, 11g
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1
|
C26H26ClN5O2 475.980000 |
SJOKPCUBKAMNFF-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35659; PubChem:CID44481764
|
Local ready
Direct docking supported
|
|
E3L001942
BDB001942
|
Pyrimidylpyrrole, 11h
Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C27H26ClN5O2 487.991000 |
HOCNVQDRTVHYCW-XMMPIXPASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35660; PubChem:CID44482304
|
Local ready
Direct docking supported
|
|
E3L001943
BDB001943
|
Pyrimidylpyrrole, 11i
Cc1cnc(Nc2cccc3c2CCCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C28H28ClN5O2 502.018000 |
GNNGWQSTNJCADU-RUZDIDTESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35661; PubChem:CID44481765
|
Local ready
Direct docking supported
|
|
E3L001944
BDB001944
|
Pyrimidylpyrrole, 11j
Cc1cnc(Nc2cccc3c2OCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C25H22ClN5O4 491.935000 |
GEPLEVYEUCTLJX-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35662; PubChem:CID44482305
|
Local ready
Direct docking supported
|
|
E3L001945
BDB001945
|
Pyrimidylpyrrole, 11k
Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C25H20ClF2N5O4 527.915000 |
YUPWBUPSOSSVKV-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35663; PubChem:CID44482306
|
Local ready
Direct docking supported
|
|
E3L001946
BDB001946
|
Pyrimidylpyrrole, 11l
Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1
|
C26H24ClN5O4 505.962000 |
MPCQRPKDRXWSSR-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35664; PubChem:CID44481766
|
Local ready
Direct docking supported
|
|
E3L001947
BDB001947
|
Pyrimidylpyrrole, 11m
COc1cccc(Nc2ncc(C)c(-c3c[nH]c(C(=O)N[C@H](CO)c4cccc(Cl)c4)c3)n2)c1OC
|
C26H26ClN5O4 507.978000 |
BATKTFZYDQZCLB-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM35665; PubChem:CID44482307
|
Local ready
Direct docking supported
|
|
E3L001948
BDB001948
|
BDBM36363
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O
|
C23H28N4O2 392.503000 |
YQNRVGJCPCNMKT-LFVJCYFKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM36363; PubChem:CID9675990
|
Local ready
Direct docking supported
|
|
E3L001949
BDB001949
|
Necrostatin-1
CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S
|
C13H13N3OS 259.334000 |
TXUWMXQFNYDOEZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM36371; PubChem:CID2828334
|
Local ready
Direct docking supported
|
|
E3L001950
BDB001950
|
Torkinib
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
|
C16H16N6O 308.345000 |
MFAQYJIYDMLAIM-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630, Q9BVC4 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Target of rapamycin complex subunit LST8, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM36409; PubChem:CID135565635
|
Local ready
Direct docking supported
|
|
E3L001951
BDB001951
|
BDBM36465
CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)n1
|
C27H35N9O2 517.638000 |
AXSIEBLMJCMGJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36465; PubChem:CID23729140
|
Local ready
Direct docking supported
|
|
E3L001952
BDB001952
|
BDBM36466
CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NCCc2c[nH]c3ncccc23)n1
|
C26H34N8O 474.613000 |
VQXIMOSNRRZCHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36466; PubChem:CID24767906
|
Local ready
Direct docking supported
|
|
E3L001953
BDB001953
|
BDBM36467
COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(N(C)[C@@H](C)c2ccccc2)n1
|
C31H35N9O2 565.682000 |
PLMYMCBEALPSII-JINQPTGOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36467; PubChem:CID24767910
|
Local ready
Direct docking supported
|
|
E3L001954
BDB001954
|
BDBM36468
COc1ccccc1CCNc1nc(Nc2ccc3ncccc3c2)nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)n1
|
C31H30N10O2 574.649000 |
OMWYORTUSDNQOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36468; PubChem:CID24767908
|
Local ready
Direct docking supported
|
|
E3L001955
BDB001955
|
BDBM36469
COc1cc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)ccc1C
|
C28H26FN7O 495.562000 |
BRDWCYGHHLRMJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36469; PubChem:CID42640799
|
Local ready
Direct docking supported
|
|
E3L001956
BDB001956
|
BDBM36470
COc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)n2)cc1OC
|
C30H28N10O3 576.621000 |
PMUQMQVIFPSVBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36470; PubChem:CID24767923
|
Local ready
Direct docking supported
|
|
E3L001957
BDB001957
|
BDBM36471
CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
|
C22H23N7O 401.474000 |
NHMHDVJUUYELRQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM36471; PubChem:CID24767924
|
Local ready
Direct docking supported
|
|
E3L001958
BDB001958
|
2-(5-Chloro-1-benzothiophen-3-yl)acetic acid
O=C(O)Cc1csc2ccc(Cl)cc12
|
C10H7ClO2S 226.684000 |
QQKKTOPRRGBBCT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM36500; PubChem:CID205058
|
Local ready
Direct docking supported
|
|
E3L001959
BDB001959
|
Sirolimus
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C51H79NO13 914.187000 |
QFJCIRLUMZQUOT-HPLJOQBZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM36609; PubChem:CID5284616
|
Local ready
Direct docking supported
|
|
E3L001960
BDB001960
|
1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1
|
C16H14O5S2 350.417000 |
DIBWMHKTLMPOSU-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM36838; PubChem:CID647878
|
Local ready
Direct docking supported
|