| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006821
BDB006821
|
BDBM155570
CNC(=O)C1(Cc2ccc(F)c(Nc3cc(C)[nH]n3)n2)CCN(C(=O)c2cccc(Cl)c2F)CC1
|
C24H25ClF2N6O2 502.953000 |
TYTPWTMXQPOHQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155570; PubChem:CID117776539
|
Local ready
Direct docking supported
|
|
E3L006822
BDB006822
|
BDBM155571
Cc1cc(Nc2nc(CC3(C(=O)NC4CC4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C26H27ClF2N6O2 528.991000 |
KFKCUGPWEAJREP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155571; PubChem:CID117777016
|
Local ready
Direct docking supported
|
|
E3L006823
BDB006823
|
BDBM155572
Cc1cc(Nc2nc(CC3(C(=O)N4CCC4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C26H27ClF2N6O2 528.991000 |
FKBXSMMSZMPOPT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155572; PubChem:CID117776495
|
Local ready
Direct docking supported
|
|
E3L006824
BDB006824
|
BDBM155573
Cc1cc(Nc2nc(CC3(c4noc(C)n4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C25H24ClF2N7O2 527.963000 |
BQOUQYBZXHHCIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155573; PubChem:CID117776873
|
Local ready
Direct docking supported
|
|
E3L006825
BDB006825
|
BDBM155574
Cc1cc(Nc2nc(CC3(c4ncon4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C24H22ClF2N7O2 513.936000 |
BYWLEEWVFXOXAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155574; PubChem:CID117776753
|
Local ready
Direct docking supported
|
|
E3L006826
BDB006826
|
BDBM155575
Cc1cc(Nc2nc(CC3(c4nnc(C)o4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C25H24ClF2N7O2 527.963000 |
KGJQVQSYWYQQOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155575; PubChem:CID117860922
|
Local ready
Direct docking supported
|
|
E3L006827
BDB006827
|
BDBM155576
Cc1noc(C2(Cc3ccc(F)c(Nc4cc(C)[nH]n4)n3)CCN(C(=O)c3cccc(Cl)c3F)CC2)n1
|
C25H24ClF2N7O2 527.963000 |
GBLWEKVVBOPDQK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155576; PubChem:CID89793466
|
Local ready
Direct docking supported
|
|
E3L006828
BDB006828
|
BDBM155950
C[C@@H]1CN(CC(=O)N2CCc3ccc(Br)cc32)CCN1
|
C15H20BrN3O 338.249000 |
NRALMRJMHWZEOC-LLVKDONJSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM155950; PubChem:CID71471883
|
Local ready
Direct docking supported
|
|
E3L006829
BDB006829
|
BDBM155951
C[C@@H]1CN(CC(=O)N2CCc3ccc(N(C)c4ccccc4)cc32)CCN1
|
C22H28N4O 364.493000 |
JZZOPDMPDUWIQW-QGZVFWFLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155951; PubChem:CID70980699
|
Local ready
Direct docking supported
|
|
E3L006830
BDB006830
|
BDBM155952
C[C@@H]1CN(CC(=O)N2CCc3ccc(Nc4ccccc4)cc32)CCN1
|
C21H26N4O 350.466000 |
KQMWINMUFGGCOT-MRXNPFEDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155952; PubChem:CID86723980
|
Local ready
Direct docking supported
|
|
E3L006831
BDB006831
|
BDBM155953
C[C@@H]1CN(CC(=O)N2CCc3ccc(Cl)cc32)CCN1
|
C15H20ClN3O 293.798000 |
BSUPDLHHECKZJL-LLVKDONJSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM155953; PubChem:CID90232294
|
Local ready
Direct docking supported
|
|
E3L006832
BDB006832
|
BDBM155954
COc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
|
C16H23N3O2 289.379000 |
AZZBQNKRRWVSFT-GFCCVEGCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM155954; PubChem:CID90254453
|
Local ready
Direct docking supported
|
|
E3L006833
BDB006833
|
BDBM155955
Cc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
|
C16H23N3O 273.380000 |
OHNGWVZUUYBPTF-CYBMUJFWSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM155955; PubChem:CID71471946
|
Local ready
Direct docking supported
|
|
E3L006834
BDB006834
|
BDBM155958
C[C@@H]1CN(CC(=O)N2CCc3cc(F)ccc32)CCN1
|
C15H20FN3O 277.343000 |
XOMZQKAQYWEISN-LLVKDONJSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM155958; PubChem:CID71471949
|
Local ready
Direct docking supported
|
|
E3L006835
BDB006835
|
BDBM155959
C[C@@H]1CN(CC(=O)N2CCc3ccc(F)cc32)CCN1
|
C15H20FN3O 277.343000 |
JYRMPJWEDYIOOQ-LLVKDONJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155959; PubChem:CID71471950
|
Local ready
Direct docking supported
|
|
E3L006836
BDB006836
|
BDBM155961
CC(C)[C@H]1CN[C@H](C)CN1CC(=O)N1CCc2ccc(Br)cc21
|
C18H26BrN3O 380.330000 |
IWSITJSGTRUVTC-CXAGYDPISA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155961; PubChem:CID90251738
|
Local ready
Direct docking supported
|
|
E3L006837
BDB006837
|
BDBM155962
CC(C)c1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
|
C18H27N3O 301.434000 |
RTMLXSAEKOYYRI-CQSZACIVSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155962; PubChem:CID71471953
|
Local ready
Direct docking supported
|
|
E3L006838
BDB006838
|
BDBM155964
COC(=O)c1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
|
C17H23N3O3 317.389000 |
PSLUVSXEUAMXRM-GFCCVEGCSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155964; PubChem:CID90232268
|
Local ready
Direct docking supported
|
|
E3L006839
BDB006839
|
BDBM155966
C[C@@H]1CN(CC(=O)N2CCc3ccc(C(=O)N(C)C)cc32)CCN1
|
C18H26N4O2 330.432000 |
BHHKUGBFKGDWBX-CYBMUJFWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155966; PubChem:CID71472006
|
Local ready
Direct docking supported
|
|
E3L006840
BDB006840
|
BDBM155968
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c(Cl)cccc32)CCN1
|
C17H24ClN3O 321.852000 |
JSTNBKVECVAHEM-GFCCVEGCSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM155968; PubChem:CID71472008
|
Local ready
Direct docking supported
|