| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003041
BDB003041
|
BDBM59342
COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl
|
C13H14ClN3O3S 327.793000 |
YTABULWPBQYVTR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59342; PubChem:CID658027
|
Local ready
Direct docking supported
|
|
E3L003042
BDB003042
|
BDBM59343
Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1
|
C18H15N5O 317.352000 |
ZARVOCUCXXPXPA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59343; PubChem:CID665114
|
Local ready
Direct docking supported
|
|
E3L003043
BDB003043
|
BDBM59344
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
|
C20H18N2O5 366.373000 |
UACANSRXWGZSAC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59344; PubChem:CID666783
|
Local ready
Direct docking supported
|
|
E3L003044
BDB003044
|
BDBM59345
Cc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
|
C21H23N3O2 349.434000 |
LKZFOLUZPGWNEU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59345; PubChem:CID667332
|
Local ready
Direct docking supported
|
|
E3L003045
BDB003045
|
BDBM59346
COc1cc2c(cc1OC)-c1cc(NC3CCCC3)nc(=O)n1CC2
|
C19H23N3O3 341.411000 |
NHVLKUAKTVQGNU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59346; PubChem:CID667338
|
Local ready
Direct docking supported
|
|
E3L003046
BDB003046
|
BDBM59347
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12
|
C24H25N5O3S 463.563000 |
ZICMJEVNIZQLQY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59347; PubChem:CID2591729
|
Local ready
Direct docking supported
|
|
E3L003047
BDB003047
|
BDBM59348
CC/N=C1\Cn2c(nc3scc(-c4ccccc4)c3c2=O)CN1CC
|
C19H20N4OS 352.463000 |
RWGMLJPFNBJBEV-HMMYKYKNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59348
|
Local ready
Direct docking supported
|
|
E3L003048
BDB003048
|
BDBM59349
CCOc1ccccc1N1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1
|
C25H26N2O3 402.494000 |
GULAIMWOEJOSAX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59349; PubChem:CID2435278
|
Local ready
Direct docking supported
|
|
E3L003049
BDB003049
|
BDBM59350
CC1CCCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1C
|
C23H31N3O4S 445.585000 |
NSSUXYQMXSEYIM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59350; PubChem:CID3237035
|
Local ready
Direct docking supported
|
|
E3L003050
BDB003050
|
BDBM59351
O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1
|
C18H16ClN3O2 341.798000 |
OVTWTGBGRDBMQL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59351; PubChem:CID3238750
|
Local ready
Direct docking supported
|
|
E3L003051
BDB003051
|
BDBM59352
COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)cc1OC
|
C21H24N2O5 384.432000 |
PEGWXSMPPUAIAB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59352; PubChem:CID3239090
|
Local ready
Direct docking supported
|
|
E3L003052
BDB003052
|
BDBM59353
COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1
|
C28H26N4O5 498.539000 |
QQXLGOGGQBXYCG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59353; PubChem:CID3240784
|
Local ready
Direct docking supported
|
|
E3L003053
BDB003053
|
N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
|
C16H23NO4S 325.430000 |
GDBOKVPZCIJLBC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59354; PubChem:CID3240786
|
Local ready
Direct docking supported
|
|
E3L003054
BDB003054
|
BDBM59355
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2F)CC1
|
C22H24FN3O3 397.450000 |
QXCUWXQIHUUNJS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59355; PubChem:CID3240868
|
Local ready
Direct docking supported
|
|
E3L003055
BDB003055
|
BDBM59356
O=C(NCc1cccs1)c1noc2c1CCCCC2
|
C14H16N2O2S 276.361000 |
BVOYFVULVOPFPG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59356; PubChem:CID3241355
|
Local ready
Direct docking supported
|
|
E3L003056
BDB003056
|
BDBM59357
Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(=O)O
|
C15H15NO5 289.287000 |
CILFZGCNSJVUNB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59357; PubChem:CID875166
|
Local ready
Direct docking supported
|
|
E3L003057
BDB003057
|
BDBM59358
O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccco1
|
C14H11FN4O2S 318.333000 |
IIQFFIFLPYAVSV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59358; PubChem:CID3243337
|
Local ready
Direct docking supported
|
|
E3L003058
BDB003058
|
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CC(=O)NCCc1csc(-c2ccccc2)n1
|
C13H14N2OS 246.335000 |
BNHZMUIJAKRPJM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59359; PubChem:CID3244200
|
Local ready
Direct docking supported
|
|
E3L003059
BDB003059
|
BDBM59360
CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O
|
C19H18N2O4 338.363000 |
MAIZNCUSYANEIV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59360; PubChem:CID3244572
|
Local ready
Direct docking supported
|
|
E3L003060
BDB003060
|
BDBM59361
N#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
|
C14H9BrN4S 345.225000 |
DEYMHFHACXKPOV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59361; PubChem:CID3245059
|
Local ready
Direct docking supported
|