| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003121
BDB003121
|
N-{2-[(3-fluorobenzyl)oxy]benzyl}aniline
Fc1cccc(COc2ccccc2CNc2ccccc2)c1
|
C20H18FNO 307.368000 |
WXLHGVADSVDFPI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59422; PubChem:CID893128
|
Local ready
Direct docking supported
|
|
E3L003122
BDB003122
|
N-(sec-butyl)-N'-cyclopentylethanediamide
CCC(C)NC(=O)C(=O)NC1CCCC1
|
C11H20N2O2 212.293000 |
XDKZPMQNCOZAIJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59423; PubChem:CID2943640
|
Local ready
Direct docking supported
|
|
E3L003123
BDB003123
|
BDBM59424
CCCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1
|
C21H24N4O3S2 444.582000 |
VCUPRQDEFIQQFH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59424; PubChem:CID1442618
|
Local ready
Direct docking supported
|
|
E3L003124
BDB003124
|
N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide
COc1ccc(NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1
|
C16H16N2O4 300.314000 |
HJYSOPCBZBOJHY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59425; PubChem:CID2940358
|
Local ready
Direct docking supported
|
|
E3L003125
BDB003125
|
BDBM59426
CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N
|
C14H12FN5OS2 349.416000 |
BRLGVXWTAMMWJC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59426; PubChem:CID1611923
|
Local ready
Direct docking supported
|
|
E3L003126
BDB003126
|
1-((2-Nitrophenyl)sulfonyl)piperidine
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1
|
C11H14N2O4S 270.310000 |
AACRWZVDRSTLKY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59427; PubChem:CID796971
|
Local ready
Direct docking supported
|
|
E3L003127
BDB003127
|
6-((4-Chlorophenyl)thio)-5-nitropyrimidin-4-amine
Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]
|
C10H7ClN4O2S 282.712000 |
FIDHBYQKLOEZPR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59428; PubChem:CID2959049
|
Local ready
Direct docking supported
|
|
E3L003128
BDB003128
|
BDBM59429
O=C(COc1cccc2ccccc12)NNC(=O)CSCCO
|
C16H18N2O4S 334.397000 |
VLIKFRRSRFYYGS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59429; PubChem:CID1847447
|
Local ready
Direct docking supported
|
|
E3L003129
BDB003129
|
BDBM59430
CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1
|
C22H22N4O4 406.442000 |
YLBZGOGGPRBEQK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59430; PubChem:CID1242806
|
Local ready
Direct docking supported
|
|
E3L003130
BDB003130
|
BDBM59431
Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1C
|
C21H19N3OS 361.470000 |
GBWFUYLBTCRFAT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59431; PubChem:CID1292893
|
Local ready
Direct docking supported
|
|
E3L003131
BDB003131
|
BDBM59432
COc1ccc(C(N)=NOC(=O)Cc2ccc(C)cc2)cc1
|
C17H18N2O3 298.342000 |
ILYDWFYOPBSMEV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59432; PubChem:CID2944377
|
Local ready
Direct docking supported
|
|
E3L003132
BDB003132
|
BDBM59433
CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1
|
C21H22Cl2N4O2S 465.406000 |
FTBCVXFZRZLFHQ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59433; PubChem:CID1247880
|
Local ready
Direct docking supported
|
|
E3L003133
BDB003133
|
BDBM59434
CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-]
|
C20H17N3O5S 411.439000 |
OOOIRBWWVQJIKS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59434; PubChem:CID1315879
|
Local ready
Direct docking supported
|
|
E3L003134
BDB003134
|
BDBM59435
O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl
|
C17H17ClN2O3S2 396.921000 |
BAWJHUXVGQKTOP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59435; PubChem:CID1117955
|
Local ready
Direct docking supported
|
|
E3L003135
BDB003135
|
BDBM59436
CCN(CC)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1cccs1
|
C19H26N4O2S 374.510000 |
VKJDZDRYUUBSCY-JQIJEIRASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59436; PubChem:CID5771244
|
Local ready
Direct docking supported
|
|
E3L003136
BDB003136
|
BDBM59437
Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccco1
|
C14H12N2O2S 272.329000 |
SRNCUIYFSWLQBB-YRNVUSSQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59437; PubChem:CID759842
|
Local ready
Direct docking supported
|
|
E3L003137
BDB003137
|
BDBM59438
CCOc1ccc(NC(=S)NCCCN2CCN(C3CCCCC3)CC2)cc1
|
C22H36N4OS 404.624000 |
UXGXCSOCOQWEDV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59438; PubChem:CID12005201
|
Local ready
Direct docking supported
|
|
E3L003138
BDB003138
|
BDBM59439
Cc1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(C)(=O)=O)cc1
|
C17H18BrN3O3S 424.320000 |
TYEZAXLNSYEEJR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59439; PubChem:CID5135785
|
Local ready
Direct docking supported
|
|
E3L003139
BDB003139
|
BDBM59440
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1
|
C23H19N5O4 429.436000 |
HQSJIZOFEUJXHR-SFQUDFHCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59440; PubChem:CID6511847
|
Local ready
Direct docking supported
|
|
E3L003140
BDB003140
|
BDBM59441
COc1cc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O
|
C20H21N5O4S 427.486000 |
HONWETYAENBSTP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59441; PubChem:CID91897398
|
Local ready
Direct docking supported
|