| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000801
BDB000801
|
BDBM25688
O=C(NCCN1CCOCC1)c1ccc(Nc2ncc(Br)s2)cc1
|
C16H19BrN4O2S 411.325000 |
TUORUMAUQXCXFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25688; PubChem:CID16068523
|
Local ready
Direct docking supported
|
|
E3L000802
BDB000802
|
BDBM25689
O=C(NCCN1CCCC1)c1ccc(Nc2ncc(Br)s2)cc1
|
C16H19BrN4OS 395.326000 |
DMIBSRUIECZFKG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25689; PubChem:CID16068956
|
Local ready
Direct docking supported
|
|
E3L000803
BDB000803
|
5-bromo-N-(3-fluorophenyl)-1,3-thiazol-2-amine
Fc1cccc(Nc2ncc(Br)s2)c1
|
C9H6BrFN2S 273.130000 |
MRAZFLXMJRTUFH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25690; PubChem:CID16068637
|
Local ready
Direct docking supported
|
|
E3L000804
BDB000804
|
5-bromo-N-(3-methylphenyl)-1,3-thiazol-2-amine
Cc1cccc(Nc2ncc(Br)s2)c1
|
C10H9BrN2S 269.167000 |
ZOFCMSXGIYEXBQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25691; PubChem:CID16068734
|
Local ready
Direct docking supported
|
|
E3L000805
BDB000805
|
BDBM25692
FC(F)(F)c1cccc(Nc2ncc(Br)s2)c1
|
C10H6BrF3N2S 323.137000 |
JQHHNPWRXBKLMT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25692; PubChem:CID16068638
|
Local ready
Direct docking supported
|
|
E3L000806
BDB000806
|
5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
COc1cccc(Nc2ncc(Br)s2)c1
|
C10H9BrN2OS 285.166000 |
WPUZELUDBSWHIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25693; PubChem:CID16068639
|
Local ready
Direct docking supported
|
|
E3L000807
BDB000807
|
BDBM25694
CSc1cccc(Nc2ncc(Br)s2)c1
|
C10H9BrN2S2 301.234000 |
LZXFIXLCRDSHDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25694; PubChem:CID16068852
|
Local ready
Direct docking supported
|
|
E3L000808
BDB000808
|
3-[(5-Bromo-1,3-thiazol-2-yl)amino]benzonitrile
N#Cc1cccc(Nc2ncc(Br)s2)c1
|
C10H6BrN3S 280.150000 |
HGVVJBXZEQSMKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25695; PubChem:CID16068851
|
Local ready
Direct docking supported
|
|
E3L000809
BDB000809
|
Ethyl 3-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CCOC(=O)c1cccc(Nc2ncc(Br)s2)c1
|
C12H11BrN2O2S 327.203000 |
PQRPLOWSMMVJBP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25696; PubChem:CID16068741
|
Local ready
Direct docking supported
|
|
E3L000810
BDB000810
|
3-[(5-Bromo-1,3-thiazol-2-yl)amino]benzoic acid
O=C(O)c1cccc(Nc2ncc(Br)s2)c1
|
C10H7BrN2O2S 299.149000 |
KPIDOMYRAKPVIB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25697; PubChem:CID16068526
|
Local ready
Direct docking supported
|
|
E3L000811
BDB000811
|
BDBM25698
COCCNC(=O)c1cccc(Nc2ncc(Br)s2)c1
|
C13H14BrN3O2S 356.245000 |
JLTGNOUTGNZYHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25698; PubChem:CID16068529
|
Local ready
Direct docking supported
|
|
E3L000812
BDB000812
|
3-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide
CNC(=O)c1cccc(Nc2ncc(Br)s2)c1
|
C11H10BrN3OS 312.192000 |
RREAPIQCBWUWAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25699; PubChem:CID16068530
|
Local ready
Direct docking supported
|
|
E3L000813
BDB000813
|
5-bromo-N-(2-fluorophenyl)-1,3-thiazol-2-amine
Fc1ccccc1Nc1ncc(Br)s1
|
C9H6BrFN2S 273.130000 |
VBDRKUAKKXDLFS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25700; PubChem:CID16068850
|
Local ready
Direct docking supported
|
|
E3L000814
BDB000814
|
5-bromo-N-(2-methylphenyl)-1,3-thiazol-2-amine
Cc1ccccc1Nc1ncc(Br)s1
|
C10H9BrN2S 269.167000 |
KNKWEFNJGRLCRQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25701; PubChem:CID16068848
|
Local ready
Direct docking supported
|
|
E3L000815
BDB000815
|
BDBM25702
FC(F)(F)c1ccccc1Nc1ncc(Br)s1
|
C10H6BrF3N2S 323.137000 |
XLHGMJDJMQBVOQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25702; PubChem:CID25093334
|
Local ready
Direct docking supported
|
|
E3L000816
BDB000816
|
5-bromo-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
COc1ccccc1Nc1ncc(Br)s1
|
C10H9BrN2OS 285.166000 |
MQHOTEGHHUEJKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25703; PubChem:CID16068742
|
Local ready
Direct docking supported
|
|
E3L000817
BDB000817
|
5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
Fc1ccc(Nc2ncc(Br)s2)c(F)c1
|
C9H5BrF2N2S 291.120000 |
HYEDTKVSOCAGTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25704; PubChem:CID25093335
|
Local ready
Direct docking supported
|
|
E3L000818
BDB000818
|
5-bromo-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
Fc1ccc(F)c(Nc2ncc(Br)s2)c1
|
C9H5BrF2N2S 291.120000 |
XEAPRJHGSXBYOB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25705; PubChem:CID25093336
|
Local ready
Direct docking supported
|
|
E3L000819
BDB000819
|
5-bromo-N-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
Clc1ccc(Nc2ncc(Br)s2)cc1Cl
|
C9H5BrCl2N2S 324.030000 |
RPALQLSAGKQQRA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25706; PubChem:CID25093337
|
Local ready
Direct docking supported
|
|
E3L000820
BDB000820
|
5-bromo-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
Clc1cc(Cl)cc(Nc2ncc(Br)s2)c1
|
C9H5BrCl2N2S 324.030000 |
BOFJZZWSKIGISA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25707; PubChem:CID25093338
|
Local ready
Direct docking supported
|