| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005081
BDB005081
|
BDBM116912
COC1C=CC(C(=O)Nc2cccc(CNc3ncnc4c3=CC(CN3CCN(C)CC3)CC=4C(N)=O)c2)=CC1
|
C30H37N7O3 543.672000 |
XHXXOAPJDJYKTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116912; PubChem:CID68078850
|
Local ready
Direct docking supported
|
|
E3L005082
BDB005082
|
BDBM116913
COc1ccc(C(=O)NCc2cccc(Nc3ncnc4c(C(N)=O)cc(O)cc34)c2)cc1
|
C24H21N5O4 443.463000 |
DTZJZNAWJBWOKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116913; PubChem:CID68078945
|
Local ready
Direct docking supported
|
|
E3L005083
BDB005083
|
BDBM116914
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
|
C28H24N6O2 476.540000 |
ARSUCYDDYANZMC-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116914; PubChem:CID66762632
|
Local ready
Direct docking supported
|
|
E3L005084
BDB005084
|
BDBM116915
Cc1ccnc(Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C23H22N6O 398.470000 |
GCDUDPJGGBFYHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116915; PubChem:CID66763276
|
Local ready
Direct docking supported
|
|
E3L005085
BDB005085
|
BDBM116916
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C25H19F4N5O3 513.451000 |
YCYPFPIRBBLPCG-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116916; PubChem:CID66763772
|
Local ready
Direct docking supported
|
|
E3L005086
BDB005086
|
BDBM116917
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2nc(C(C)(C)C)cs2)c1
|
C25H26N6O2S 474.590000 |
RYNQMPYRVHRMKH-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116917; PubChem:CID66762830
|
Local ready
Direct docking supported
|
|
E3L005087
BDB005087
|
BDBM116918
CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1
|
C23H23N7O2 429.484000 |
JMSLGFQQYRJYBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116918; PubChem:CID66763777
|
Local ready
Direct docking supported
|
|
E3L005088
BDB005088
|
BDBM116919
CNc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C24H22N6O2 426.480000 |
RYROLHUONOCJPP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116919; PubChem:CID66763352
|
Local ready
Direct docking supported
|
|
E3L005089
BDB005089
|
BDBM116920
CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
|
C30H34N6O4 542.640000 |
MSISHOSYNKFLMZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116920; PubChem:CID66763752
|
Local ready
Direct docking supported
|
|
E3L005090
BDB005090
|
BDBM116921
Cc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1
|
C21H19N7O2 401.430000 |
FVCBPYDMVVHXSV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116921; PubChem:CID66762962
|
Local ready
Direct docking supported
|
|
E3L005091
BDB005091
|
BDBM116922
Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C24H21N5O2 411.465000 |
RCBPCGVUXHCRAA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116922; PubChem:CID66763284
|
Local ready
Direct docking supported
|
|
E3L005092
BDB005092
|
BDBM116923
CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c3=CCCC=4C(N)=O)c2)c1
|
C25H26N6O2 442.523000 |
FTMVCBNREGWDGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116923; PubChem:CID68078860
|
Local ready
Direct docking supported
|
|
E3L005093
BDB005093
|
BDBM116924
Cc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C24H21N5O2 411.465000 |
RWDHVFTXNBLJFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116924; PubChem:CID66762682
|
Local ready
Direct docking supported
|
|
E3L005094
BDB005094
|
BDBM116925
COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
|
C27H27N5O5 501.543000 |
OVWZZXGBBZJATH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116925; PubChem:CID66763244
|
Local ready
Direct docking supported
|
|
E3L005095
BDB005095
|
BDBM116926
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12
|
C24H17F4N5O2 483.425000 |
WUTICGGSWNCYCY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116926; PubChem:CID66762987
|
Local ready
Direct docking supported
|
|
E3L005096
BDB005096
|
BDBM116927
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(CCCCO)cc34)c2)cc1
|
C28H29N5O4 499.571000 |
NLGYPTWGAPKFAZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116927; PubChem:CID68078865
|
Local ready
Direct docking supported
|
|
E3L005097
BDB005097
|
BDBM116928
CCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H23N5O3 441.491000 |
ZIAKJYHNHPITCS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116928; PubChem:CID66763570
|
Local ready
Direct docking supported
|
|
E3L005098
BDB005098
|
BDBM116929
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
|
C23H25N5O2 403.486000 |
SHTJDUVIHHPLRU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116929; PubChem:CID66762943
|
Local ready
Direct docking supported
|
|
E3L005099
BDB005099
|
BDBM116930
CC(=O)Nc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H22N6O3 454.490000 |
PGGKNOUMRNIDKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116930; PubChem:CID66762837
|
Local ready
Direct docking supported
|
|
E3L005100
BDB005100
|
BDBM116931
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)OC(F)(F)O5)c3)ncnc12
|
C24H17F2N5O4 477.427000 |
BNTYNTVACAGJNE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116931; PubChem:CID68081955
|
Local ready
Direct docking supported
|