| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003081
BDB003081
|
2,5-Dimethyl-3-{[4-benzylpiperazinyl]sulfonyl}thiophene
Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1
|
C17H22N2O2S2 350.509000 |
CTKUFPDTRNVLJM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59382; PubChem:CID1517748
|
Local ready
Direct docking supported
|
|
E3L003082
BDB003082
|
BDBM59383
CCn1c(=O)cc(OCC(=O)NCCC(C)C)c2ccccc21
|
C18H24N2O3 316.401000 |
COWZOLDBEUDQLC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59383; PubChem:CID5308920
|
Local ready
Direct docking supported
|
|
E3L003083
BDB003083
|
BDBM59384
O=C(O)CN1C(=O)COc2cc(S(=O)(=O)N3CCCC3)ccc21
|
C14H16N2O6S 340.357000 |
QKSBXUWSAFJICW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59384; PubChem:CID4413991
|
Local ready
Direct docking supported
|
|
E3L003084
BDB003084
|
BDBM59385
CC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2
|
C19H22N2O5 358.394000 |
DPLBSTZPFDGATN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59385; PubChem:CID2956101
|
Local ready
Direct docking supported
|
|
E3L003085
BDB003085
|
BDBM59386
COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
|
C23H25N3O6S 471.535000 |
RAJJMJDIKLMNLV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59386; PubChem:CID5309619
|
Local ready
Direct docking supported
|
|
E3L003086
BDB003086
|
BDBM59387
CCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1
|
C18H31N5O 333.480000 |
CBAHDYBUKAQOBI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59387; PubChem:CID5309687
|
Local ready
Direct docking supported
|
|
E3L003087
BDB003087
|
BDBM59388
CC(C)CC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(C(C)C)C(=O)C21
|
C20H26N2O5 374.437000 |
AHUNSMBXSCWDLT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59388; PubChem:CID3280524
|
Local ready
Direct docking supported
|
|
E3L003088
BDB003088
|
BDBM59389
CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
|
C16H14N2O4S2 362.432000 |
SJEWXUVWZOKLHW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59389; PubChem:CID1085635
|
Local ready
Direct docking supported
|
|
E3L003089
BDB003089
|
BDBM59390
CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)N3CCCCCC3)cc21
|
C22H24N2O3S 396.512000 |
QUOCPEHLNYBVLB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59390; PubChem:CID5309892
|
Local ready
Direct docking supported
|
|
E3L003090
BDB003090
|
BDBM59391
O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1
|
C19H17FN2O2 324.355000 |
JHUODAGHIWWATE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59391; PubChem:CID5309929
|
Local ready
Direct docking supported
|
|
E3L003091
BDB003091
|
BDBM59392
O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1
|
C14H12N4O3S 316.342000 |
DFOFJHSDHDLNCY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59392; PubChem:CID4123400
|
Local ready
Direct docking supported
|
|
E3L003092
BDB003092
|
BDBM59393
Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2
|
C21H17BrN2O3 425.282000 |
QVKYNUOKDZUYJM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59393; PubChem:CID3290432
|
Local ready
Direct docking supported
|
|
E3L003093
BDB003093
|
4-[(5-Bromopyridine-3-carbonyl)amino]butanoic acid
O=C(O)CCCNC(=O)c1cncc(Br)c1
|
C10H11BrN2O3 287.113000 |
RNPIEIFEHJKBGP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59394; PubChem:CID1893245
|
Local ready
Direct docking supported
|
|
E3L003094
BDB003094
|
BDBM59395
CCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
|
C20H24N2O3S 372.490000 |
ZJEHFZGBHSPLND-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59395; PubChem:CID1151712
|
Local ready
Direct docking supported
|
|
E3L003095
BDB003095
|
1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
c1c(CN2CCCCC2)n[nH]c1C1CCCCC1
|
C15H25N3 247.386000 |
XKNXSIOHXSOBAB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59396; PubChem:CID786815
|
Local ready
Direct docking supported
|
|
E3L003096
BDB003096
|
Dirithromycin
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
|
C42H78N2O14 835.086000 |
WLOHNSSYAXHWNR-DWIOZXRMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59397; PubChem:CID6473883
|
Local ready
Direct docking supported
|
|
E3L003097
BDB003097
|
BDBM59398
O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccc(Cl)cc1
|
C25H21ClN6O2 472.936000 |
NRAIVZLRUFNBTG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59398; PubChem:CID3192804
|
Local ready
Direct docking supported
|
|
E3L003098
BDB003098
|
BDBM59399
CC(C)C(c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1
|
C21H33N5 355.530000 |
PCSBZJUCMCGNBW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59399; PubChem:CID3193385
|
Local ready
Direct docking supported
|
|
E3L003099
BDB003099
|
BDBM59400
Cc1sc2nc(CN(C(=O)NC3CCCCC3)C3CCCCC3)[nH]c(=O)c2c1C
|
C22H32N4O2S 416.591000 |
DKUGQUZYVZAURK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59400; PubChem:CID1453279
|
Local ready
Direct docking supported
|
|
E3L003100
BDB003100
|
1-Cyclopropyl-3-(pyridine-3-carbonyl)-thiourea
O=C(NC(=S)NC1CC1)c1cccnc1
|
C10H11N3OS 221.285000 |
GEDUXYDPUDKIPP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59401; PubChem:CID822265
|
Local ready
Direct docking supported
|