| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004941
BDB004941
|
BDBM116769
COC1=CC=CCC1C(CN(C)C)Nc1ncnc2c(C(N)=O)cccc12
|
C20H25N5O2 367.453000 |
OKFZWSPIHHWNPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116769; PubChem:CID68079072
|
Local ready
Direct docking supported
|
|
E3L004942
BDB004942
|
BDBM116770
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C27H27N5O4 485.544000 |
IHDFFGIONOKCLR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116770; PubChem:CID68079073
|
Local ready
Direct docking supported
|
|
E3L004943
BDB004943
|
BDBM116771
CNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H21N7O2 427.468000 |
GZBZDQBLAIACNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116771; PubChem:CID68078772
|
Local ready
Direct docking supported
|
|
E3L004944
BDB004944
|
BDBM116772
CN(C[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1ccccc1)C1CC1
|
C21H25N5O 363.465000 |
MUFCACSRTIFNRI-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116772; PubChem:CID68079076
|
Local ready
Direct docking supported
|
|
E3L004945
BDB004945
|
BDBM116773
COc1ccc(C(=O)Nc2cccc(C(CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F
|
C31H33FN6O5 588.640000 |
XMRWQUJWAVDOIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116773; PubChem:CID68078771
|
Local ready
Direct docking supported
|
|
E3L004946
BDB004946
|
BDBM116775
CC(C)c1csc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n1
|
C24H24N6O2S 460.563000 |
LMGGXHWFXQXVKE-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116775; PubChem:CID66763564
|
Local ready
Direct docking supported
|
|
E3L004947
BDB004947
|
BDBM116776
COc1ccc(C(=O)Nc2cccc(C(CCN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F
|
C28H29FN6O3 516.577000 |
FPDMCBWYLQMASE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116776; PubChem:CID66764028
|
Local ready
Direct docking supported
|
|
E3L004948
BDB004948
|
BDBM116777
C=CCN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CC([N+](=O)[O-])=CCC1
|
C22H26N6O3 422.489000 |
NURCNMPZTXFLMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116777; PubChem:CID68078788
|
Local ready
Direct docking supported
|
|
E3L004949
BDB004949
|
BDBM116778
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
|
C30H31BrN6O2 587.522000 |
NNDFRIHFDHSKHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116778; PubChem:CID68079082
|
Local ready
Direct docking supported
|
|
E3L004950
BDB004950
|
BDBM116779
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(C(F)(F)F)n[nH]4)cc3)ncnc12
|
C21H16F3N7O2 455.400000 |
SNBMLCRFYZAAAX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116779; PubChem:CID66763697
|
Local ready
Direct docking supported
|
|
E3L004951
BDB004951
|
BDBM116780
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c(OC)c1
|
C25H23N5O4 457.490000 |
PJYYVACVVUDTRN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116780; PubChem:CID66763462
|
Local ready
Direct docking supported
|
|
E3L004952
BDB004952
|
BDBM116781
CNC[C@H](Cc1ccccc1)Nc1ncnc2c(C(N)=O)cccc12
|
C19H21N5O 335.411000 |
VSJGVVKRWIMICM-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116781; PubChem:CID66764000
|
Local ready
Direct docking supported
|
|
E3L004953
BDB004953
|
4-(Benzylamino)-5-methoxyquinazoline-8-carboxamide
COc1ccc(C(N)=O)c2ncnc(NCc3ccccc3)c12
|
C17H16N4O2 308.341000 |
PMFORDWFGARVAB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116782; PubChem:CID66763773
|
Local ready
Direct docking supported
|
|
E3L004954
BDB004954
|
BDBM116783
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
|
C30H30F2N6O2 544.606000 |
RDMDYYYJDXIUDF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116783; PubChem:CID68079088
|
Local ready
Direct docking supported
|
|
E3L004955
BDB004955
|
BDBM116784
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4csc(N)n4)c3)ncnc12
|
C20H17N7O2S 419.470000 |
ABRVQCRUWGRURK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116784; PubChem:CID77014393
|
Local ready
Direct docking supported
|
|
E3L004956
BDB004956
|
BDBM116785
CN(C)CC(Nc1ncnc2c(C(N)=O)cc(OCc3ccc(F)cc3)cc12)c1cccc(F)c1
|
C26H25F2N5O2 477.515000 |
KNDZWMODNPTMLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116785; PubChem:CID66763410
|
Local ready
Direct docking supported
|
|
E3L004957
BDB004957
|
BDBM116786
CNCC(Nc1ncnc2c(C(N)=O)cc(OCCCN(C)C)cc12)c1ccccc1
|
C23H30N6O2 422.533000 |
ILQICKVTZSTVOE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116786; PubChem:CID66763154
|
Local ready
Direct docking supported
|
|
E3L004958
BDB004958
|
BDBM116788
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c[nH]c5ccccc45)c3)ncnc12
|
C25H20N6O2 436.475000 |
PRBRXSXEFQRILZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116788; PubChem:CID66763330
|
Local ready
Direct docking supported
|
|
E3L004959
BDB004959
|
BDBM116789
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CN5CCCC5)cc4)c3)ncnc12
|
C28H28N6O2 480.572000 |
KOOZPNYTOCFUNJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116789; PubChem:CID66763538
|
Local ready
Direct docking supported
|
|
E3L004960
BDB004960
|
BDBM116790
CC(Nc1ncnc2c(C(N)=O)cc(F)cc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
|
C24H18F4N6O2 498.440000 |
IGFVLPPIRBECDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116790; PubChem:CID66762989
|
Local ready
Direct docking supported
|