| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003101
BDB003101
|
BDBM59402
COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1
|
C17H15N3O3S2 373.459000 |
NEVBASBPCXKISX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59402; PubChem:CID1120958
|
Local ready
Direct docking supported
|
|
E3L003102
BDB003102
|
1-Ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-ol
CCC12CN3CCN(CC(C3)C1O)C2
|
C11H20N2O 196.294000 |
NPDDLKZIGVJINF-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59403; PubChem:CID4138073
|
Local ready
Direct docking supported
|
|
E3L003103
BDB003103
|
BDBM59404
Cc1c(Br)cccc1NC(=O)c1sccc1-n1cccc1
|
C16H13BrN2OS 361.264000 |
JDJVFBUWGDUOPP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59404; PubChem:CID1477680
|
Local ready
Direct docking supported
|
|
E3L003104
BDB003104
|
BDBM59405
COc1ccc(-c2nc(Cn3c(SCc4ccccc4F)nc4ccncc43)c(C)o2)cc1
|
C25H21FN4O2S 460.534000 |
JDDOVEYQEXYDNM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59405; PubChem:CID9550154
|
Local ready
Direct docking supported
|
|
E3L003105
BDB003105
|
BDBM59406
CCOC(=O)N1CCC(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)CC)CC1
|
C22H39N3O4 409.571000 |
JWIYPYDSXPJGNL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59406; PubChem:CID9550398
|
Local ready
Direct docking supported
|
|
E3L003106
BDB003106
|
BDBM59407
Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1
|
C18H19N3O2S 341.436000 |
XUIAATHNEQWORS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59407; PubChem:CID9550441
|
Local ready
Direct docking supported
|
|
E3L003107
BDB003107
|
BDBM59408
COC(=O)c1cc2sccc2n1Cc1nc(-c2cccc(Cl)c2)oc1C
|
C19H15ClN2O3S 386.860000 |
NUMFFXOKXKIBLB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59408; PubChem:CID9550442
|
Local ready
Direct docking supported
|
|
E3L003108
BDB003108
|
BDBM59409
CCC(=NNS(C)(=O)=O)c1ccccc1
|
C10H14N2O2S 226.301000 |
BOPDQWGJJSCAHW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59409
|
Local ready
Direct docking supported
|
|
E3L003109
BDB003109
|
BDBM59410
CC1CCCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)C1
|
C24H30N2O3 394.515000 |
XAQKOFTZMLYQIU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59410; PubChem:CID4135042
|
Local ready
Direct docking supported
|
|
E3L003110
BDB003110
|
(2-benzyl-3-oxo-1H-isoindol-1-yl) propanoate
CCC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1
|
C18H17NO3 295.338000 |
YOFKCUFHLCKNMV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59411; PubChem:CID9550758
|
Local ready
Direct docking supported
|
|
E3L003111
BDB003111
|
3-Hydroxy-2-(4-methyl-2-pyridyl)isoindolin-1-one
Cc1ccnc(N2C(=O)c3ccccc3C2O)c1
|
C14H12N2O2 240.262000 |
NEKYOTRRQORTES-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59412; PubChem:CID9550873
|
Local ready
Direct docking supported
|
|
E3L003112
BDB003112
|
5-Phenethyl-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
c1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1
|
C20H17N3O 315.376000 |
DIFMYNQUXHVQEF-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59413; PubChem:CID1503095
|
Local ready
Direct docking supported
|
|
E3L003113
BDB003113
|
N-[4-(4-Morpholinyl)phenyl]-4-pyridinemethanamine
c1cc(CNc2ccc(N3CCOCC3)cc2)ccn1
|
C16H19N3O 269.348000 |
YGHPMOCMMSDMAZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59414; PubChem:CID788565
|
Local ready
Direct docking supported
|
|
E3L003114
BDB003114
|
BDBM59415
CN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2
|
C19H25N3S 327.497000 |
RGXIZYCMZRSMQS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59415; PubChem:CID938946
|
Local ready
Direct docking supported
|
|
E3L003115
BDB003115
|
BDBM59416
CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CCc1ccccc1
|
C24H31N5O3S2 501.678000 |
DTAHJXUCIFQZMS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59416; PubChem:CID5037640
|
Local ready
Direct docking supported
|
|
E3L003116
BDB003116
|
BDBM59417
CCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)Nc1ccccc1-2
|
C21H20N4O2S 392.484000 |
TXDNQJCIKMRWOE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59417; PubChem:CID6410136
|
Local ready
Direct docking supported
|
|
E3L003117
BDB003117
|
BDBM59418
O=C1[C]C(=C(c2ccccc2)c2ccccc2)C(=O)N1[C][C][C][C]N1[C][C]N(c2cccc(Cl)c2)[C][C]1
|
C31H14ClN3O2 495.925000 |
SIJLUBLZANPODK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59418
|
Local ready
Direct docking supported
|
|
E3L003118
BDB003118
|
BDBM59419
Cc1ccc(C(C)NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1
|
C22H21N3O 343.430000 |
CRALVCOOXRQCDE-PDGQHHTCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59419; PubChem:CID11838389
|
Local ready
Direct docking supported
|
|
E3L003119
BDB003119
|
N-(4-fluorophenyl)-2-(2-nitroethyl)benzamide
O=C(Nc1ccc(F)cc1)c1ccccc1CC[N+](=O)[O-]
|
C15H13FN2O3 288.278000 |
VBWBBGVDMXTRAI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59420; PubChem:CID5192379
|
Local ready
Direct docking supported
|
|
E3L003120
BDB003120
|
BDBM59421
COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1
|
C18H16O4 296.322000 |
OJZPJHGLUOUICM-LFYBBSHMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59421; PubChem:CID5721474
|
Local ready
Direct docking supported
|