| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000901
BDB000901
|
BDBM26309
O=C(Nc1ccc(CCNc2ncnc3ccsc23)cc1)c1cccc(C(F)(F)F)c1
|
C22H17F3N4OS 442.466000 |
LSCKUUOMMSYITN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26309; PubChem:CID25138097
|
Local ready
Direct docking supported
|
|
E3L000902
BDB000902
|
BDBM26310
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CCNc2ncnc3ccsc23)cc1
|
C22H17F3N4OS 442.466000 |
JMCRLXRZTYCGFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26310; PubChem:CID25138098
|
Local ready
Direct docking supported
|
|
E3L000903
BDB000903
|
BDBM26311
O=C(Nc1ccc(CCNc2ncnc3ccsc23)cc1)Nc1cccc(C(F)(F)F)c1
|
C22H18F3N5OS 457.481000 |
UZICNABHDZJWBD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26311; PubChem:CID25138099
|
Local ready
Direct docking supported
|
|
E3L000904
BDB000904
|
BDBM26314
O=C(Nc1cccc(C(F)(F)F)c1)Nc1cn(CCNc2ncnc3ccsc23)nn1
|
C18H15F3N8OS 448.434000 |
WYJOWCMPAGGKEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26314; PubChem:CID25138102
|
Local ready
Direct docking supported
|
|
E3L000905
BDB000905
|
BDBM26315
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1
|
C19H15F3N6OS2 464.498000 |
JJHXPDTVQKWKHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26315; PubChem:CID24880024
|
Local ready
Direct docking supported
|
|
E3L000906
BDB000906
|
BDBM26316
O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(CCNc2ncnc3ccsc23)cs1
|
C19H15F3N6OS2 464.498000 |
IBZIMOXPGQXXBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26316; PubChem:CID25138103
|
Local ready
Direct docking supported
|
|
E3L000907
BDB000907
|
BDBM26320
O=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccsc23)s1
|
C18H16N6OS2 396.501000 |
KLMNDRZFWQDVRL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26320; PubChem:CID25138107
|
Local ready
Direct docking supported
|
|
E3L000908
BDB000908
|
Sns-314
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1
|
C18H15ClN6OS2 430.946000 |
FAYAUAZLLLJJGH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM26326; PubChem:CID24995524
|
Local ready
Direct docking supported
|
|
E3L000909
BDB000909
|
Pazopanib
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
|
C21H23N7O2S 437.529000 |
CUIHSIWYWATEQL-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM26474; PubChem:CID10113978
|
Local ready
Direct docking supported
|
|
E3L000910
BDB000910
|
Morin
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
|
C15H10O7 302.238000 |
YXOLAZRVSSWPPT-UHFFFAOYSA-N | P29372 | DNA-3-methyladenine glycosylase |
BindingDB, PubChem
BindingDB:BDBM26658; PubChem:CID5281670
|
Local ready
Direct docking supported
|
|
E3L000911
BDB000911
|
7,3'-Dihydroxyflavone
O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12
|
C15H10O4 254.241000 |
DYARIVMCYYQNNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM26659; PubChem:CID5391140
|
Local ready
Direct docking supported
|
|
E3L000912
BDB000912
|
BDBM27077
CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
|
C12H11N5O 241.254000 |
LEFKZSWCBZBDLU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27077; PubChem:CID135909510
|
Local ready
Direct docking supported
|
|
E3L000913
BDB000913
|
N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
|
C17H13N5O 303.325000 |
FPKSFXFWECAIBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27078; PubChem:CID135566361
|
Local ready
Direct docking supported
|
|
E3L000914
BDB000914
|
BDBM27079
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
|
C22H22N6O2 402.458000 |
CMEKRUHUVGTVLK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27079; PubChem:CID135909511
|
Local ready
Direct docking supported
|
|
E3L000915
BDB000915
|
BDBM27080
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1
|
C22H21FN6O2 420.448000 |
AKIIIZOJWRPEPQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27080; PubChem:CID135566358
|
Local ready
Direct docking supported
|
|
E3L000916
BDB000916
|
BDBM27081
O=C(Nc1ccccc1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
|
C22H23N7O2 417.473000 |
SOTHNRIRXPUQEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27081; PubChem:CID135566360
|
Local ready
Direct docking supported
|
|
E3L000917
BDB000917
|
BDBM27082
O=C(Nc1ccccc1F)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
|
C22H22FN7O2 435.463000 |
HOPYTUITHBXQSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27082; PubChem:CID135909512
|
Local ready
Direct docking supported
|
|
E3L000918
BDB000918
|
BDBM27083
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1c(F)cccc1F
|
C22H21F2N7O2 453.453000 |
MDHHYPFBVYJHPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27083; PubChem:CID135428039
|
Local ready
Direct docking supported
|
|
E3L000919
BDB000919
|
BDBM27084
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CCCCC1
|
C22H29N7O2 423.521000 |
GXDMNAKMJVMWKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27084; PubChem:CID135909513
|
Local ready
Direct docking supported
|
|
E3L000920
BDB000920
|
BDBM27085
O=C(Nc1cccnc1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
|
C21H22N8O2 418.461000 |
RAPHAQZUOBFENV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27085; PubChem:CID135909514
|
Local ready
Direct docking supported
|