| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000761
BDB000761
|
GW843682X
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC
|
C22H18F3N3O4S 477.464000 |
JSKUWFIZUALZLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25120; PubChem:CID9826308
|
Local ready
Direct docking supported
|
|
E3L000762
BDB000762
|
Bi 2536
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
|
C28H39N7O3 521.666000 |
XQVVPGYIWAGRNI-JOCHJYFZSA-N | O14965, O95835, P51617, Q12830, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM25121; PubChem:CID11364421
|
Local ready
Direct docking supported
|
|
E3L000763
BDB000763
|
BDBM25470
O=C(Nc1nc(-c2ccncc2)cs1)C1COc2ccccc2O1
|
C17H13N3O3S 339.376000 |
QKKGSTFAKMXWFE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25470; PubChem:CID5056270
|
Local ready
Direct docking supported
|
|
E3L000764
BDB000764
|
BDBM25518
Cc1nn(-c2cc(Cl)cc(CCC(N)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
|
C24H24ClN5O 433.943000 |
SQRHNUCMJHZAKJ-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25518; PubChem:CID25093261
|
Local ready
Direct docking supported
|
|
E3L000765
BDB000765
|
BDBM25521
CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
|
C29H26ClN5O 496.014000 |
QUYZXRAAIRZUEE-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25521; PubChem:CID25093264
|
Local ready
Direct docking supported
|
|
E3L000766
BDB000766
|
Chelerythrine
COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC
|
C21H18NO4+ 348.378000 |
LLEJIEBFSOEYIV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM25524; PubChem:CID2703
|
Local ready
Direct docking supported
|
|
E3L000767
BDB000767
|
Plx-4720
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
|
C17H14ClF2N3O3S 413.833000 |
YZDJQTHVDDOVHR-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM25617; PubChem:CID24180719
|
Local ready
Direct docking supported
|
|
E3L000768
BDB000768
|
BDBM25628
O=NC1CCc2cc(-c3cn(CCO)nc3-c3ccncc3)ccc21
|
C19H18N4O2 334.379000 |
RIGIGAFKKVBACY-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | 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, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25628; PubChem:CID91448975
|
Local ready
Direct docking supported
|
|
E3L000769
BDB000769
|
N-(4-fluorophenyl)-1,3-thiazol-2-amine
Fc1ccc(Nc2nccs2)cc1
|
C9H7FN2S 194.234000 |
ARCKJBKYXUAEIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25656; PubChem:CID25093329
|
Local ready
Direct docking supported
|
|
E3L000770
BDB000770
|
(5-Chloro-thiazol-2-yl)-(4-fluoro-phenyl)-amine
Fc1ccc(Nc2ncc(Cl)s2)cc1
|
C9H6ClFN2S 228.679000 |
UNVBVRYDSAIBCG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25657; PubChem:CID16095351
|
Local ready
Direct docking supported
|
|
E3L000771
BDB000771
|
5-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
Fc1ccc(Nc2ncc(Br)s2)cc1
|
C9H6BrFN2S 273.130000 |
OYBJLISPJOWJOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25658; PubChem:CID16068845
|
Local ready
Direct docking supported
|
|
E3L000772
BDB000772
|
4-Bromo-N-(4-fluorophenyl)thiazol-2-amine
Fc1ccc(Nc2nc(Br)cs2)cc1
|
C9H6BrFN2S 273.130000 |
UGEMVNAPNXSDBB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25659; PubChem:CID25093330
|
Local ready
Direct docking supported
|
|
E3L000773
BDB000773
|
N-(4-fluorophenyl)-5-iodo-1,3-thiazol-2-amine
Fc1ccc(Nc2ncc(I)s2)cc1
|
C9H6FIN2S 320.130000 |
OXGRTMFGSXNVDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25660; PubChem:CID16068846
|
Local ready
Direct docking supported
|
|
E3L000774
BDB000774
|
5-bromo-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CN(c1ccc(F)cc1)c1ncc(Br)s1
|
C10H8BrFN2S 287.157000 |
YMECUWXFMPJSJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25661; PubChem:CID25093331
|
Local ready
Direct docking supported
|
|
E3L000775
BDB000775
|
5-bromo-N-phenyl-1,3-thiazol-2-amine
Brc1cnc(Nc2ccccc2)s1
|
C9H7BrN2S 255.140000 |
GZYZRVABKWWEMZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25662; PubChem:CID12348630
|
Local ready
Direct docking supported
|
|
E3L000776
BDB000776
|
5-bromo-N-(4-chlorophenyl)-1,3-thiazol-2-amine
Clc1ccc(Nc2ncc(Br)s2)cc1
|
C9H6BrClN2S 289.585000 |
NODIMWRKZZLBMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25663; PubChem:CID16068632
|
Local ready
Direct docking supported
|
|
E3L000777
BDB000777
|
5-bromo-N-(4-bromophenyl)-1,3-thiazol-2-amine
Brc1ccc(Nc2ncc(Br)s2)cc1
|
C9H6Br2N2S 334.036000 |
MFPKWRAOAXNZFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25664; PubChem:CID16068853
|
Local ready
Direct docking supported
|
|
E3L000778
BDB000778
|
5-bromo-N-(4-iodophenyl)-1,3-thiazol-2-amine
Brc1cnc(Nc2ccc(I)cc2)s1
|
C9H6BrIN2S 381.036000 |
ZQFRHKGNKMKMOE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25665; PubChem:CID25093332
|
Local ready
Direct docking supported
|
|
E3L000779
BDB000779
|
5-bromo-N-(4-methylphenyl)-1,3-thiazol-2-amine
Cc1ccc(Nc2ncc(Br)s2)cc1
|
C10H9BrN2S 269.167000 |
KKYQUCFONLNPTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25666; PubChem:CID16068431
|
Local ready
Direct docking supported
|
|
E3L000780
BDB000780
|
BDBM25667
FC(F)(F)c1ccc(Nc2ncc(Br)s2)cc1
|
C10H6BrF3N2S 323.137000 |
DUZSVOIDXYBLLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25667; PubChem:CID16068740
|
Local ready
Direct docking supported
|