| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004921
BDB004921
|
BDBM116746
COc1ccc(C(=O)Nc2cccc(C(CCN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C28H30N6O3 498.587000 |
WPDWJWPDAWEUDW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116746; PubChem:CID66762542
|
Local ready
Direct docking supported
|
|
E3L004922
BDB004922
|
BDBM116747
COCCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C26H27N7O3 485.548000 |
TXCWDJYJHQBALS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116747; PubChem:CID66763531
|
Local ready
Direct docking supported
|
|
E3L004923
BDB004923
|
BDBM116748
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=C[NH+]([O-])CC=C2)c1
|
C23H22N6O3 430.468000 |
GJTZJJVUDPIOOX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116748; PubChem:CID77014390
|
Local ready
Direct docking supported
|
|
E3L004924
BDB004924
|
BDBM116749
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C27H24F3N5O4 539.514000 |
HIUMPNPHWNCFBW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116749; PubChem:CID66763519
|
Local ready
Direct docking supported
|
|
E3L004925
BDB004925
|
BDBM116750
CCOc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C25H24N6O3 456.506000 |
OZKLXNJWZUXQAC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116750; PubChem:CID66763824
|
Local ready
Direct docking supported
|
|
E3L004926
BDB004926
|
BDBM116751
CS(=O)(=O)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C24H21N5O4S 475.530000 |
OIDHYGPWCABWGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116751; PubChem:CID66763053
|
Local ready
Direct docking supported
|
|
E3L004927
BDB004927
|
BDBM116752
CCN(C[C@@H](Nc1ccccc(C(N)=O)cncn1)C1C=CC=CC1)C(C)C
|
C22H31N5O 381.524000 |
FOUODSJMGGENMN-ROPPNANJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116752; PubChem:CID68078758
|
Local ready
Direct docking supported
|
|
E3L004928
BDB004928
|
BDBM116753
CN(C)CCOc1ccc(NC(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C27H29N7O3 499.575000 |
XVNFBGOMJAUCKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116753; PubChem:CID68078820
|
Local ready
Direct docking supported
|
|
E3L004929
BDB004929
|
BDBM116754
NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
|
C20H18N6O 358.405000 |
ZOAQMCSHCNWYTR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116754; PubChem:CID66763023
|
Local ready
Direct docking supported
|
|
E3L004930
BDB004930
|
BDBM116755
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1
|
C25H19F4N5O2 497.452000 |
OEFRWUPQSHQOMD-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116755; PubChem:CID66763348
|
Local ready
Direct docking supported
|
|
E3L004931
BDB004931
|
1-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CCn1nc(C(=O)Nc2ccccc2)cc1C
|
C13H15N3O 229.283000 |
GYOJAUPBIHPKFM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116756; PubChem:CID25855841
|
Local ready
Direct docking supported
|
|
E3L004932
BDB004932
|
BDBM116757
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1
|
C29H31N7O2 509.614000 |
PNFSXOCCWZKQET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116757; PubChem:CID66763054
|
Local ready
Direct docking supported
|
|
E3L004933
BDB004933
|
BDBM116758
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CCCC2)c1
|
C23H25N5O2 403.486000 |
VXJNQGXNBJPYRH-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116758; PubChem:CID66763423
|
Local ready
Direct docking supported
|
|
E3L004934
BDB004934
|
BDBM116759
CCOC(=O)c1ccc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)cn1
|
C26H26N6O4 486.532000 |
RBVRSMCCUMHQRB-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116759; PubChem:CID68078822
|
Local ready
Direct docking supported
|
|
E3L004935
BDB004935
|
BDBM116760
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cncnc2)c1
|
C22H19N7O2 413.441000 |
JGFQBBRDUAPPHV-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116760; PubChem:CID66764414
|
Local ready
Direct docking supported
|
|
E3L004936
BDB004936
|
BDBM116761
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C25H20F3N5O3 495.461000 |
SZUFVMKRAKNXNR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116761; PubChem:CID66762825
|
Local ready
Direct docking supported
|
|
E3L004937
BDB004937
|
BDBM116762
CN1CCN(c2ccc(C(=O)Nc3cccc(CNc4nncc5c(C(N)=O)cccc45)c3)cc2C(F)(F)F)CC1
|
C29H28F3N7O2 563.584000 |
ZCNHSWBTKSJQNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116762; PubChem:CID68078770
|
Local ready
Direct docking supported
|
|
E3L004938
BDB004938
|
BDBM116765
CC(C)CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C26H27N7O2 469.549000 |
ZLLVDXDXVWPFPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116765; PubChem:CID68078765
|
Local ready
Direct docking supported
|
|
E3L004939
BDB004939
|
BDBM116767
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
|
C24H23N7O3 457.494000 |
QXTIKAMWRHHMBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116767; PubChem:CID68078828
|
Local ready
Direct docking supported
|
|
E3L004940
BDB004940
|
BDBM116768
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
|
C29H30N6O2 494.599000 |
QHLGSHJIJSOCMR-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116768; PubChem:CID66763936
|
Local ready
Direct docking supported
|