| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002921
BDB002921
|
BDBM48833
COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O
|
C17H11ClN2O6S 406.803000 |
PADTZIJWSMJYJO-AUWJEWJLSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48833; PubChem:CID1231596
|
Local ready
Direct docking supported
|
|
E3L002922
BDB002922
|
1-Hexadecyl-3-methylimidazolium
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
|
C20H39N2+ 307.546000 |
DCLKMMFVIGOXQN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48845; PubChem:CID2734232
|
Local ready
Direct docking supported
|
|
E3L002923
BDB002923
|
BDBM49246
COc1cccc(C(=O)CC=Nc2cc(C)ccc2O)c1
|
C17H17NO3 283.327000 |
UIJGBRZBYPHSNM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM49246; PubChem:CID91896793
|
Local ready
Direct docking supported
|
|
E3L002924
BDB002924
|
2-(3,5-Dimethoxyphenyl)-5-methyl-1,3-benzoxazole
COc1cc(OC)cc(-c2nc3cc(C)ccc3o2)c1
|
C16H15NO3 269.300000 |
JRSSJVNHBFIMSU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM49252; PubChem:CID888125
|
Local ready
Direct docking supported
|
|
E3L002925
BDB002925
|
2-(Allylthio)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
C=CCSc1nnc(-c2ccc(Cl)cc2Cl)o1
|
C11H8Cl2N2OS 287.171000 |
KXMZHKSMSJHVKB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM49327; PubChem:CID1731558
|
Local ready
Direct docking supported
|
|
E3L002926
BDB002926
|
2-(4-Phenylphenyl)pyrrolidino[1,2-a]imidazole
c1ccc(-c2ccc(-c3cn4c(n3)CCC4)cc2)cc1
|
C18H16N2 260.340000 |
IMYNUXAXHXLXJE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM49419; PubChem:CID3697667
|
Local ready
Direct docking supported
|
|
E3L002927
BDB002927
|
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]indoline
Cc1c(C(=O)N2CCc3ccccc32)oc2ccccc12
|
C18H15NO2 277.323000 |
LOQUVEWCPHKFJK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM49586; PubChem:CID1247770
|
Local ready
Direct docking supported
|
|
E3L002928
BDB002928
|
BDBM50170
O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
|
C19H14N4O2 330.347000 |
AFSRQATYLSSREW-PKNBQFBNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50170; PubChem:CID727009
|
Local ready
Direct docking supported
|
|
E3L002929
BDB002929
|
BDBM50288
Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
|
C24H18N2O3 382.419000 |
OKHKBUULHCBLJI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50288; PubChem:CID4141238
|
Local ready
Direct docking supported
|
|
E3L002930
BDB002930
|
BDBM50575
N#Cc1c(N(CCO)CCO)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1cccs1
|
C20H21N7O3S 439.501000 |
XWFGKTKKMRNSRI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50575; PubChem:CID4426072
|
Local ready
Direct docking supported
|
|
E3L002931
BDB002931
|
Altenusin
COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2C)c1
|
C15H14O6 290.271000 |
ADPBTBPPIIKLEH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50576; PubChem:CID6918469
|
Local ready
Direct docking supported
|
|
E3L002932
BDB002932
|
Sulfuretin
O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)ccc21
|
C15H10O5 270.240000 |
RGNXWPVNPFAADO-NSIKDUERSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50580; PubChem:CID5281295
|
Local ready
Direct docking supported
|
|
E3L002933
BDB002933
|
BDBM50600
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1
|
C18H18ClNO3 331.799000 |
NVNGUFUOKYOUJL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50600; PubChem:CID282594
|
Local ready
Direct docking supported
|
|
E3L002934
BDB002934
|
BDBM50603
C=C(C)C(=O)Nc1cccc([C+]2CC3(CC(C(N)=O)N(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)C3)O[N-]2)c1
|
C25H24N6O8 536.501000 |
VRZLMSMBSGRBMV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50603; PubChem:CID73307390
|
Local ready
Direct docking supported
|
|
E3L002935
BDB002935
|
BDBM50604
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1
|
C22H26N4O4 410.474000 |
OZAAGRUXJFRJMM-HSJPTMTJSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50604; PubChem:CID16681884
|
Local ready
Direct docking supported
|
|
E3L002936
BDB002936
|
BDBM50610
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/C=C/C)C3)c1
|
C23H26N4O4 422.485000 |
SBWWSKSGOLBHLX-AFMQZQPLSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50610; PubChem:CID16682067
|
Local ready
Direct docking supported
|
|
E3L002937
BDB002937
|
2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
CC1(C)N([O-])c2cc([N+](=O)[O-])ccc2[N+]1=O
|
C9H9N3O4 223.188000 |
YLVSVJDCTDBERH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50612; PubChem:CID2736269
|
Local ready
Direct docking supported
|
|
E3L002938
BDB002938
|
BDBM50643
COc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O
|
C18H13NO3 291.306000 |
NJELFFLROCNKMT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50643; PubChem:CID369539
|
Local ready
Direct docking supported
|
|
E3L002939
BDB002939
|
BDBM50646
COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O
|
C28H24N2O6 484.508000 |
IQZIRNIZQHVBMB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50646; PubChem:CID72571
|
Local ready
Direct docking supported
|
|
E3L002940
BDB002940
|
BDBM50674
O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S
|
C19H14N2O4S3 430.532000 |
WVXZZGALNSGPLY-XNTDXEJSSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50674; PubChem:CID2012945
|
Local ready
Direct docking supported
|