| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060701
BDB060701
|
BDBM50563976
COc1cc(/C=N/NC(=S)NCCCN2CCOCC2)c(Br)c(Br)c1OC
|
C17H24Br2N4O3S 524.279000 |
HTLQCKDZZPPMBP-SRZZPIQSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50563976; PubChem:CID162667099
|
Local ready
Direct docking supported
|
|
E3L060702
BDB060702
|
BDBM50563977
CCOC(=O)c1ccc(NC(=S)N/N=C/c2cc(OC)c(OC)c(Br)c2Br)cc1
|
C19H19Br2N3O4S 545.253000 |
BWWCPTJDCGETQL-LSHDLFTRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50563977; PubChem:CID162675751
|
Local ready
Direct docking supported
|
|
E3L060703
BDB060703
|
Aurora A inhibitor 2
CCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCN5CCOCC5)c(=O)c4c3)cc2[nH]1
|
C24H26N6O3 446.511000 |
WKBADCPZJIWSRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50564151; PubChem:CID153521671
|
Local ready
Direct docking supported
|
|
E3L060704
BDB060704
|
BDBM50564152
CCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCc5c[nH]c6ccccc56)c(=O)c4c3)cc2[nH]1
|
C28H24N6O2 476.540000 |
LSOJMWRTJMDWFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50564152; PubChem:CID162673765
|
Local ready
Direct docking supported
|
|
E3L060705
BDB060705
|
Telmisartan amide
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
|
C33H31N5O 513.645000 |
YAIWQMXHIQDCFT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50564377; PubChem:CID11978018
|
Local ready
Direct docking supported
|
|
E3L060706
BDB060706
|
BDBM50565411
Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2)cn1
|
C25H20FN7O 453.481000 |
CGDYRZUPKPBLND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50565411; PubChem:CID154573766
|
Local ready
Direct docking supported
|
|
E3L060707
BDB060707
|
Ret-IN-19
CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(-c5ccc(S(C)(=O)=O)cc5)cc34)cc2)no1
|
C28H28N6O4S 544.637000 |
ZBZATSVLKXDTMV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50565637; PubChem:CID162672262
|
Local ready
Direct docking supported
|
|
E3L060708
BDB060708
|
BDBM50566366
Cc1cc(Cl)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1
|
C18H16ClNO2 313.784000 |
FJHYYRXRLSUUQJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50566366; PubChem:CID164615766
|
Local ready
Direct docking supported
|
|
E3L060709
BDB060709
|
BDBM50566369
Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1
|
C18H16FNO2 297.329000 |
NENQUZKBDKDCRF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50566369; PubChem:CID164616580
|
Local ready
Direct docking supported
|
|
E3L060710
BDB060710
|
Grk6-IN-2
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1
|
C21H21FN6 376.439000 |
QIKJAWWGNVSEHB-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566915; PubChem:CID163196292
|
Local ready
Direct docking supported
|
|
E3L060711
BDB060711
|
BDBM50566916
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccccc23)n[nH]1
|
C21H21FN6 376.439000 |
LADJEJIWLZWLBM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566916; PubChem:CID164610953
|
Local ready
Direct docking supported
|
|
E3L060712
BDB060712
|
BDBM50566921
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cccc(F)c23)n[nH]1
|
C21H20F2N6 394.429000 |
KFXDAXMJWYLKDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566921; PubChem:CID164628231
|
Local ready
Direct docking supported
|
|
E3L060713
BDB060713
|
BDBM50566923
CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1
|
C22H24N6O 388.475000 |
AUJIZOUNDSPWQU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566923; PubChem:CID164614612
|
Local ready
Direct docking supported
|
|
E3L060714
BDB060714
|
BDBM50566928
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cccc(F)c23)n[nH]1
|
C21H20F2N6 394.429000 |
TWODCXKEZZLNTI-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566928; PubChem:CID164616596
|
Local ready
Direct docking supported
|
|
E3L060715
BDB060715
|
BDBM50566939
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C)cc3)nc3cccc(F)c23)n[nH]1
|
C22H23FN6 390.466000 |
VBNHXUAHZPDQJV-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566939; PubChem:CID164622491
|
Local ready
Direct docking supported
|
|
E3L060716
BDB060716
|
BDBM50566940
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)n[nH]1
|
C20H19F2N7 395.417000 |
HZHXOMKYANMUKK-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566940; PubChem:CID164623425
|
Local ready
Direct docking supported
|
|
E3L060717
BDB060717
|
BDBM50566941
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C#N)cn3)nc3cccc(F)c23)n[nH]1
|
C21H19FN8 402.437000 |
NYHGUPGYNIRFGO-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566941; PubChem:CID164613865
|
Local ready
Direct docking supported
|
|
E3L060718
BDB060718
|
BDBM50566942
CCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc3cccc(F)c23)n[nH]1
|
C19H18F2N8 396.405000 |
CNQINLDSXMBRHJ-JTQLQIEISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566942; PubChem:CID164628662
|
Local ready
Direct docking supported
|
|
E3L060719
BDB060719
|
BDBM50566946
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
|
C21H22FN7O 407.453000 |
GYMOXCZIQHPXOH-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566946; PubChem:CID164609667
|
Local ready
Direct docking supported
|
|
E3L060720
BDB060720
|
BDBM50566947
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
|
C20H20FN7O 393.426000 |
PTJBMQVUHYZJLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566947; PubChem:CID164613241
|
Local ready
Direct docking supported
|