| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005141
BDB005141
|
BDBM116972
COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(F)cc34)c2)cc1F
|
C25H21F2N5O3 477.471000 |
YOGFDHJWPOMSHT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116972; PubChem:CID66763940
|
Local ready
Direct docking supported
|
|
E3L005142
BDB005142
|
BDBM116973
COc1ccc(C(=O)Nc2cccc([C@@H](CCN3CCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C30H32N6O3 524.625000 |
RNIRTUIZMXHJGS-AREMUKBSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116973; PubChem:CID68078926
|
Local ready
Direct docking supported
|
|
E3L005143
BDB005143
|
BDBM116974
COc1ccc(C(=O)Nc2cccc(C(C)NC3=NC=NC4C(C(N)=O)=CC(Cl)C=C34)c2)cc1F
|
C25H23ClFN5O3 495.942000 |
VVSYBPIXJIERDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116974; PubChem:CID136277832
|
Local ready
Direct docking supported
|
|
E3L005144
BDB005144
|
BDBM116975
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCCCC5)nc4)c3)ncnc12
|
C27H27N7O2 481.560000 |
JEDGRRQUCXCFEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116975; PubChem:CID68078929
|
Local ready
Direct docking supported
|
|
E3L005145
BDB005145
|
BDBM116976
COc1ccc(C(=O)Nc2cccc(C(CCN3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C31H34N6O3 538.652000 |
QSWPJTLRYDNNBP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116976; PubChem:CID66763765
|
Local ready
Direct docking supported
|
|
E3L005146
BDB005146
|
BDBM116977
COc1ccc(C(=O)Nc2cccc([C@@H](CCN3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C31H34N6O3 538.652000 |
QSWPJTLRYDNNBP-HHHXNRCGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116977; PubChem:CID68082078
|
Local ready
Direct docking supported
|
|
E3L005147
BDB005147
|
BDBM116978
CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)c2c1
|
C30H34N8O3 554.655000 |
OMRUWHFZQGLMRI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116978; PubChem:CID68082079
|
Local ready
Direct docking supported
|
|
E3L005148
BDB005148
|
BDBM116979
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(OCCCN(C)C)cc34)c2)cc1
|
C29H32N6O4 528.613000 |
YEDBJKRVUNJEML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116979; PubChem:CID66763399
|
Local ready
Direct docking supported
|
|
E3L005149
BDB005149
|
BDBM116980
NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12
|
C32H36N8O4 596.692000 |
OSNSYLXLMALPLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116980; PubChem:CID68079230
|
Local ready
Direct docking supported
|
|
E3L005150
BDB005150
|
BDBM116981
CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC(NC(=O)c2ccc(OC)c(F)c2)=CCC1
|
C26H26FN5O3 475.524000 |
BQRYSUAKKHQWCB-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116981; PubChem:CID68079231
|
Local ready
Direct docking supported
|
|
E3L005151
BDB005151
|
BDBM116982
COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(C)cc34)c2)cc1F
|
C26H24FN5O3 473.508000 |
UYNUFNIQHUWLML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116982; PubChem:CID66763575
|
Local ready
Direct docking supported
|
|
E3L005152
BDB005152
|
BDBM116983
CC(Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1cccc(NC(=O)OC(C)(C)C)c1
|
C29H31N5O4 513.598000 |
RRQJOXSKCRZHNK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116983; PubChem:CID66762582
|
Local ready
Direct docking supported
|
|
E3L005153
BDB005153
|
BDBM116984
NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12
|
C33H31N7O3 573.657000 |
XJKZZPPHNXWMOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116984; PubChem:CID68082085
|
Local ready
Direct docking supported
|
|
E3L005154
BDB005154
|
BDBM116985
COCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C25H22BrN5O3 520.387000 |
GEVONFZNIWQHMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116985; PubChem:CID66763596
|
Local ready
Direct docking supported
|
|
E3L005155
BDB005155
|
BDBM116986
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
|
C24H20FN5O3 445.454000 |
SICPNVSSMIOAEC-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116986; PubChem:CID66763751
|
Local ready
Direct docking supported
|
|
E3L005156
BDB005156
|
BDBM116987
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12
|
C23H16ClF2N5O2 467.863000 |
XIMDDGPXNVZCDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116987; PubChem:CID66763250
|
Local ready
Direct docking supported
|
|
E3L005157
BDB005157
|
BDBM116988
COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1
|
C24H19F2N5O3 463.444000 |
ITKXNAMPORNHCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116988; PubChem:CID66763336
|
Local ready
Direct docking supported
|
|
E3L005158
BDB005158
|
BDBM116989
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(O)cc34)c2)cc1
|
C24H21N5O4 443.463000 |
RVKICAVHAJMKKD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116989; PubChem:CID66763610
|
Local ready
Direct docking supported
|
|
E3L005159
BDB005159
|
BDBM116990
NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)c2=CCC1
|
C24H20F3N5O2 467.451000 |
PRQRZQNKZIWBFE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116990; PubChem:CID68082165
|
Local ready
Direct docking supported
|
|
E3L005160
BDB005160
|
BDBM116991
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
|
C24H18F3N5O2 465.435000 |
LAQKCNTWJTZLBG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116991; PubChem:CID66763431
|
Local ready
Direct docking supported
|