| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057321
BDB057321
|
BDBM50466803
Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1
|
C28H21N7OS 503.591000 |
IVUGFMLRJOCGAS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466803; PubChem:CID24856041
|
Local ready
Direct docking supported
|
|
E3L057322
BDB057322
|
Pf-03814735
CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12
|
C23H25F3N6O2 474.487000 |
RYYNGWLOYLRZLK-RBUKOAKNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466804; PubChem:CID51346455
|
Local ready
Direct docking supported
|
|
E3L057323
BDB057323
|
BDBM50466805
COc1cc2c(Nc3ccc(C(=O)Nc4ccccc4)cc3)ncnc2cc1O
|
C22H18N4O3 386.411000 |
YQTIZDYSQKQTBQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466805; PubChem:CID145979974
|
Local ready
Direct docking supported
|
|
E3L057324
BDB057324
|
Pha-680632
CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
|
C28H35N7O2 501.635000 |
OBWNXGOQPLDDPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466806; PubChem:CID11249084
|
Local ready
Direct docking supported
|
|
E3L057325
BDB057325
|
BDBM50466807
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
|
C26H30N6O3 474.565000 |
XKFTZKGMDDZMJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466807; PubChem:CID21874004
|
Local ready
Direct docking supported
|
|
E3L057326
BDB057326
|
Defosbarasertib
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1
|
C26H30FN7O3 507.570000 |
QYZOGCMHVIGURT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466808; PubChem:CID16007391
|
Local ready
Direct docking supported
|
|
E3L057327
BDB057327
|
BDBM50466824
CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1
|
C21H32N6O 384.528000 |
FQBRQRVXPUQKLG-IYARVYRRSA-N | P51617, P51948 | Interleukin-1 receptor-associated kinase 1, Cyclin-H |
BindingDB
BindingDB:BDBM50466824
|
Local ready
Direct docking supported
|
|
E3L057328
BDB057328
|
BDBM50466825
CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C5CCOCC5)c34)CC2)CC1
|
C23H34N6O2 426.565000 |
SWPXADMCNLNAGW-MXVIHJGJSA-N | P51617, P51948 | Cyclin-H, Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50466825
|
Local ready
Direct docking supported
|
|
E3L057329
BDB057329
|
(1-Chloro-7-Methoxy-9h-Beta-Carbolin-9-Yl)acetonitrile
COc1ccc2c3ccnc(Cl)c3n(CC#N)c2c1
|
C14H10ClN3O 271.707000 |
BKIAHCJPMJSHSQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50466843; PubChem:CID91664024
|
Local ready
Direct docking supported
|
|
E3L057330
BDB057330
|
BDBM50466854
CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)N=C1N
|
C12H11N3O3 245.238000 |
PKEDBIGNILOTHW-XBXARRHUSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50466854; PubChem:CID145986658
|
Local ready
Direct docking supported
|
|
E3L057331
BDB057331
|
Findy
COc1ccc(/C=C2\SC(=S)NC2=O)cc1C#C[Si](C)(C)C
|
C16H17NO2S2Si 347.537000 |
JHFDWHHUUUMRLK-UVTDQMKNSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50466857; PubChem:CID72700319
|
Local ready
Direct docking supported
|
|
E3L057332
BDB057332
|
Fluoro-DANDY
Oc1ccc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)cc1O
|
C19H13FN2O2 320.323000 |
IRJDHVRCNAUAOH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50466858; PubChem:CID90248517
|
Local ready
Direct docking supported
|
|
E3L057333
BDB057333
|
BDBM50467012
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3cccc(C)c3)cc2c1C(N)=O
|
C21H24N4O4S2 460.581000 |
IRGAVEDIAARWCQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467012; PubChem:CID145993108
|
Local ready
Direct docking supported
|
|
E3L057334
BDB057334
|
BDBM50467013
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)N(C)C)cc2c1C(N)=O
|
C16H23N5O4S2 413.525000 |
VCHQRSNNPYKZBM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467013; PubChem:CID145989128
|
Local ready
Direct docking supported
|
|
E3L057335
BDB057335
|
BDBM50467014
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3ccn(C)n3)cc2c1C(N)=O
|
C18H22N6O4S2 450.546000 |
BTZIOWUABPKONC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467014; PubChem:CID145979195
|
Local ready
Direct docking supported
|
|
E3L057336
BDB057336
|
BDBM50467015
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3ccccc3)cc2c1C(N)=O
|
C20H22N4O4S2 446.554000 |
GJTLDKXJZLWVAR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467015; PubChem:CID145988204
|
Local ready
Direct docking supported
|
|
E3L057337
BDB057337
|
BDBM50467016
CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3cc(C)cs3)cc2c1C(N)=O
|
C19H22N4O4S3 466.610000 |
OBVWAZKFFALEAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467016; PubChem:CID145991240
|
Local ready
Direct docking supported
|
|
E3L057338
BDB057338
|
BDBM50467017
CCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1
|
C16H22N4O4S2 398.510000 |
GHQSOUMGSOQCHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467017; PubChem:CID145990998
|
Local ready
Direct docking supported
|
|
E3L057339
BDB057339
|
BDBM50467018
CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc2c(C(N)=O)c(NC(=O)C3CC3)sc12
|
C22H23N3O4S2 457.577000 |
UTCDALCXQDRSJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467018; PubChem:CID145988336
|
Local ready
Direct docking supported
|
|
E3L057340
BDB057340
|
BDBM50467019
CCCNS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1
|
C17H25N5O4S2 427.552000 |
OEYWYCKNHSHGIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50467019; PubChem:CID145982688
|
Local ready
Direct docking supported
|