| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003181
BDB003181
|
BDBM59482
O=C(O)CN1C(c2ccccc2O)Nc2ccc(Br)cc2C1c1ccccc1
|
C22H19BrN2O3 439.309000 |
FQKAXELYARETAI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59482; PubChem:CID3124580
|
Local ready
Direct docking supported
|
|
E3L003182
BDB003182
|
BDBM59483
COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1
|
C19H27N3O2 329.444000 |
ZLFXAVOAUBOBQS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59483; PubChem:CID16188774
|
Local ready
Direct docking supported
|
|
E3L003183
BDB003183
|
(E)-N-benzyl-N-ethyl-3-(2-nitrophenyl)prop-2-enamide
CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
|
C18H18N2O3 310.353000 |
CGBZFSLGBCECLY-OUKQBFOZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59484; PubChem:CID890492
|
Local ready
Direct docking supported
|
|
E3L003184
BDB003184
|
2,4-dibromo-N-(3-morpholin-4-ylpropyl)benzamide
O=C(NCCCN1CCOCC1)c1ccc(Br)cc1Br
|
C14H18Br2N2O2 406.118000 |
DELFMUOZZWTIJM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59485; PubChem:CID5071643
|
Local ready
Direct docking supported
|
|
E3L003185
BDB003185
|
BDBM59486
Cn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
|
C14H15ClN4O3 322.752000 |
SCPCAQDSGFMRIT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59486; PubChem:CID4605259
|
Local ready
Direct docking supported
|
|
E3L003186
BDB003186
|
BDBM59487
COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCC(=O)O)cc1
|
C21H21ClN2O5 416.861000 |
VHJBVNRHFYVQDD-AQTBWJFISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59487; PubChem:CID2278811
|
Local ready
Direct docking supported
|
|
E3L003187
BDB003187
|
BDBM59488
CCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
|
C19H22FN3O 327.403000 |
XVPAXABLDFKCJC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59488; PubChem:CID6467355
|
Local ready
Direct docking supported
|
|
E3L003188
BDB003188
|
(E)-3-(4-anilinoanilino)-1-(2-thienyl)prop-2-en-1-one
O=C(CC=Nc1ccc(Nc2ccccc2)cc1)c1cccs1
|
C19H16N2OS 320.417000 |
XFSHFBVVDKKKFX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59489; PubChem:CID91897402
|
Local ready
Direct docking supported
|
|
E3L003189
BDB003189
|
BDBM59490
CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C2=C(C)OCCO2)CC1
|
C23H31NO5 401.503000 |
GUYCIPVCNWNXND-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59490; PubChem:CID16190930
|
Local ready
Direct docking supported
|
|
E3L003190
BDB003190
|
BDBM59491
OCC1(CCc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)CC1
|
C22H27F2NO2 375.459000 |
QFHCSMRWEZDPFT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59491; PubChem:CID16190952
|
Local ready
Direct docking supported
|
|
E3L003191
BDB003191
|
BDBM59492
CC(=O)NCCc1nc2ccccc2n1CCc1ccccc1
|
C19H21N3O 307.397000 |
PLHQDIXWDFDLEZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59492; PubChem:CID1505395
|
Local ready
Direct docking supported
|
|
E3L003192
BDB003192
|
2-(benzylsulfanyl)-N-(pyridin-2-ylmethyl)propanamide
CC(SCc1ccccc1)C(=O)NCc1ccccn1
|
C16H18N2OS 286.400000 |
BGDWDIGSBGFSPY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59493; PubChem:CID3153435
|
Local ready
Direct docking supported
|
|
E3L003193
BDB003193
|
BDBM59494
CC(C)N(CC#CCC(O)(c1ccccc1)c1ccccc1)CCO
|
C22H27NO2 337.463000 |
ZQRCXNHLRBVBKW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59494; PubChem:CID1904109
|
Local ready
Direct docking supported
|
|
E3L003194
BDB003194
|
BDBM59495
CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F
|
C26H25F2N7O2 505.529000 |
BMBOWVHHPFBGEG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59495; PubChem:CID3179283
|
Local ready
Direct docking supported
|
|
E3L003195
BDB003195
|
BDBM59496
O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1ccncc1
|
C23H16N2O2 352.393000 |
LXLCMRRXMDGEIO-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59496; PubChem:CID2857537
|
Local ready
Direct docking supported
|
|
E3L003196
BDB003196
|
BDBM59497
[C][C]C1([C])OC(c2ccccc2)=[C]/C(=[C]/[C]=C2C(=O)[N]C(=O)[N]C2=O)O1
|
C19H5N2O5 341.258000 |
JWQLBPDNKIYXPJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59497
|
Local ready
Direct docking supported
|
|
E3L003197
BDB003197
|
N-[(2-methylquinolin-4-yl)methyl]-2-phenoxyacetamide
Cc1cc(CNC(=O)COc2ccccc2)c2ccccc2n1
|
C19H18N2O2 306.365000 |
HCGGGYWJQOEMGV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59498; PubChem:CID1504524
|
Local ready
Direct docking supported
|
|
E3L003198
BDB003198
|
BDBM59499
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
|
C21H23N3O3S 397.500000 |
UENZHUIVRRGYIZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59499; PubChem:CID3577425
|
Local ready
Direct docking supported
|
|
E3L003199
BDB003199
|
BDBM59500
S=C(Nc1ccc(Br)cc1)N1CCn2cccc2C1c1cccnc1
|
C19H17BrN4S 413.344000 |
NEXFDPZULDRQTM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59500; PubChem:CID4584216
|
Local ready
Direct docking supported
|
|
E3L003200
BDB003200
|
3-(2-furyl)-4H-pyrazol-4-one N-phenylhydrazone
c1ccc(N=Nc2c[nH]nc2-c2ccco2)cc1
|
C13H10N4O 238.250000 |
DJDSRWDJUBNKDU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59501; PubChem:CID3803348
|
Local ready
Direct docking supported
|