| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057021
BDB057021
|
BDBM50460777
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cccc(CO)n3)ns2)n1
|
C20H18N8OS 418.486000 |
IHPKXSCATRDYFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460777; PubChem:CID145968638
|
Local ready
Direct docking supported
|
|
E3L057022
BDB057022
|
BDBM50460778
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCC(F)CC3)ns2)n1
|
C24H24FN9S 489.584000 |
YCQCAONBOQIGLE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460778; PubChem:CID145970612
|
Local ready
Direct docking supported
|
|
E3L057023
BDB057023
|
BDBM50460779
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cn3ccnc3)ns2)n1
|
C17H15N9S 377.437000 |
JHALDORIYLXTKG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460779; PubChem:CID71044863
|
Local ready
Direct docking supported
|
|
E3L057024
BDB057024
|
BDBM50460780
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cn3cccc(C)c3=O)ns2)n1
|
C20H18N8OS 418.486000 |
PDEYSICBOCYERS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460780; PubChem:CID71044759
|
Local ready
Direct docking supported
|
|
E3L057025
BDB057025
|
BDBM50460781
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccncc3)ns2)n1
|
C19H16N8S 388.460000 |
OUPQYNOPVRTMNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460781; PubChem:CID145970663
|
Local ready
Direct docking supported
|
|
E3L057026
BDB057026
|
BDBM50460782
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cnccn3)ns2)n1
|
C18H15N9S 389.448000 |
RWYBWOQOJKMXBT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460782; PubChem:CID145970132
|
Local ready
Direct docking supported
|
|
E3L057027
BDB057027
|
BDBM50460783
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ncccn3)ns2)n1
|
C18H15N9S 389.448000 |
FGEGZTKYIBPDPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460783; PubChem:CID145986353
|
Local ready
Direct docking supported
|
|
E3L057028
BDB057028
|
BDBM50460784
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(NC3CCCC3)c3ccccn3)ns2)n1
|
C24H25N9S 471.594000 |
WXMLIAOKBBWWGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460784; PubChem:CID145968605
|
Local ready
Direct docking supported
|
|
E3L057029
BDB057029
|
BDBM50460785
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCCC3)ns2)n1
|
C23H23N9S 457.567000 |
CWAYHIGLCQXMLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460785; PubChem:CID145970381
|
Local ready
Direct docking supported
|
|
E3L057030
BDB057030
|
BDBM50460786
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3cccc(CN4CCCCC4)n3)ns2)n1
|
C25H27N9S 485.621000 |
DSGYDKJQGUWPJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460786; PubChem:CID145968159
|
Local ready
Direct docking supported
|
|
E3L057031
BDB057031
|
BDBM50460787
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ncccc3F)ns2)n1
|
C19H15FN8S 406.450000 |
UAQTUQYDPGTLDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460787; PubChem:CID25145424
|
Local ready
Direct docking supported
|
|
E3L057032
BDB057032
|
BDBM50460788
COc1cccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)n1
|
C20H18N8OS 418.486000 |
BOZCXHJHINBWSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460788; PubChem:CID58282865
|
Local ready
Direct docking supported
|
|
E3L057033
BDB057033
|
BDBM50460789
Cc1cccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)n1
|
C20H18N8S 402.487000 |
BJBBWOSJWQHASB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460789; PubChem:CID25143601
|
Local ready
Direct docking supported
|
|
E3L057034
BDB057034
|
BDBM50460790
Cc1ccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)nc1
|
C20H18N8S 402.487000 |
PKRAVRBVQBLCSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460790; PubChem:CID25145713
|
Local ready
Direct docking supported
|
|
E3L057035
BDB057035
|
BDBM50460791
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCCCC3)ns2)n1
|
C24H25N9S 471.594000 |
JGQWCDPUDLKBMX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460791; PubChem:CID145968148
|
Local ready
Direct docking supported
|
|
E3L057036
BDB057036
|
BDBM50460792
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cn3cccn3)ns2)n1
|
C17H15N9S 377.437000 |
ABVDDASVOMPADO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50460792; PubChem:CID145970720
|
Local ready
Direct docking supported
|
|
E3L057037
BDB057037
|
BDBM50460801
O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1
|
C20H22F3N3O 377.410000 |
MXZRHPHRSQJCML-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50460801; PubChem:CID3848011
|
Local ready
Direct docking supported
|
|
E3L057038
BDB057038
|
BDBM50460802
O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(F)cc2)CC1
|
C20H21F4N3O 395.400000 |
QDAWMLWWRYGWFZ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50460802; PubChem:CID126696264
|
Local ready
Direct docking supported
|
|
E3L057039
BDB057039
|
BDBM50460803
CCCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
|
C25H32F3N3O 447.545000 |
UCIVXHAANNWIQG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50460803; PubChem:CID126696276
|
Local ready
Direct docking supported
|
|
E3L057040
BDB057040
|
BDBM50460804
O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2cc[nH]n2)CC1
|
C24H26F3N5O 457.500000 |
RMCZPCTWNHWLKN-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50460804; PubChem:CID126696317
|
Local ready
Direct docking supported
|