| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005001
BDB005001
|
BDBM116832
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12
|
C25H20N6O2 436.475000 |
DUVRZKNJHQRURL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116832; PubChem:CID66763730
|
Local ready
Direct docking supported
|
|
E3L005002
BDB005002
|
BDBM116833
NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
|
C22H21F2N5O3 441.438000 |
BSTPYENVOCNZKV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116833; PubChem:CID66763226
|
Local ready
Direct docking supported
|
|
E3L005003
BDB005003
|
BDBM116834
COc1cnc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H21N7O3 443.467000 |
MTUCDISEUOWTSY-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116834; PubChem:CID66763643
|
Local ready
Direct docking supported
|
|
E3L005004
BDB005004
|
BDBM116835
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)ncnc12
|
C25H21N5O4 455.474000 |
SXRDYOQJUBMFGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116835; PubChem:CID66763818
|
Local ready
Direct docking supported
|
|
E3L005005
BDB005005
|
BDBM116836
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C30H34N8O2 538.656000 |
KVCDJGONTKRMNW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116836; PubChem:CID66763511
|
Local ready
Direct docking supported
|
|
E3L005006
BDB005006
|
BDBM116837
Cn1ccc2cc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)ccc21
|
C26H22N6O2 450.502000 |
AMCHMDYEBLIWTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116837; PubChem:CID66762676
|
Local ready
Direct docking supported
|
|
E3L005007
BDB005007
|
BDBM116838
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(CO)cc34)c2)cc1
|
C25H23N5O4 457.490000 |
SWYUPOALZWKXQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116838; PubChem:CID66763153
|
Local ready
Direct docking supported
|
|
E3L005008
BDB005008
|
BDBM116839
CCOC(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C20H21N5O3 379.420000 |
SRNFZCPMRRFGPA-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116839; PubChem:CID66762532
|
Local ready
Direct docking supported
|
|
E3L005009
BDB005009
|
BDBM116840
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5[nH]ccc45)c3)ncnc12
|
C25H20N6O2 436.475000 |
XBSWTHNYRGYQNV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116840; PubChem:CID66763993
|
Local ready
Direct docking supported
|
|
E3L005010
BDB005010
|
BDBM116841
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(C)C)c1
|
C23H25N5O2 403.486000 |
BGKAQJOYFISGLZ-YJJYDOSJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116841; PubChem:CID66763212
|
Local ready
Direct docking supported
|
|
E3L005011
BDB005011
|
BDBM116842
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CO)cc4)c3)ncnc12
|
C24H21N5O3 427.464000 |
XWKILAVPLLWQTA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116842; PubChem:CID66762042
|
Local ready
Direct docking supported
|
|
E3L005012
BDB005012
|
BDBM116843
Cc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C22H20N6O 384.443000 |
HEBODLJXGULWNN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116843; PubChem:CID66762431
|
Local ready
Direct docking supported
|
|
E3L005013
BDB005013
|
BDBM116844
Cc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(Cl)cc34)c2)cn1
|
C24H21ClN6O2 460.925000 |
JXYHLSHMUKGXOI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116844; PubChem:CID66763782
|
Local ready
Direct docking supported
|
|
E3L005014
BDB005014
|
BDBM116845
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1
|
C22H21F2N5O2 425.439000 |
GTGQIIVTDZEGPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116845; PubChem:CID66763532
|
Local ready
Direct docking supported
|
|
E3L005015
BDB005015
|
BDBM116846
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2(C(F)(F)F)CC2)c1
|
C22H20F3N5O2 443.429000 |
PAPOXMYYOLMACK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116846; PubChem:CID66762846
|
Local ready
Direct docking supported
|
|
E3L005016
BDB005016
|
BDBM116847
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cnc(C(F)(F)F)cn2)c1
|
C23H18F3N7O2 481.438000 |
RXEZJDFHQOMTGV-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116847; PubChem:CID66762013
|
Local ready
Direct docking supported
|
|
E3L005017
BDB005017
|
BDBM116848
N#CCc1ccc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)nc1
|
C23H19N7O 409.453000 |
SKQGEQYAZXPKCB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116848; PubChem:CID66763388
|
Local ready
Direct docking supported
|
|
E3L005018
BDB005018
|
BDBM116849
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12
|
C24H19N7O2 437.463000 |
QQCDNHWVJDMTCC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116849; PubChem:CID66763741
|
Local ready
Direct docking supported
|
|
E3L005019
BDB005019
|
BDBM116850
CCC(C)C(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C22H25N5O2 391.475000 |
LIQIOFRVUQMLKU-ARLHGKGLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116850; PubChem:CID66763707
|
Local ready
Direct docking supported
|
|
E3L005020
BDB005020
|
BDBM116851
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(C(O)CO)cc34)c2)cc1
|
C26H25N5O5 487.516000 |
SVDPMUQDJQIHAL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116851; PubChem:CID66762254
|
Local ready
Direct docking supported
|