| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003161
BDB003161
|
BDBM59462
CCOc1ccccc1NC(=O)C1C(C)=NC(=S)NC1c1cccs1
|
C18H19N3O2S2 373.503000 |
OUHVJPNDVBKZNQ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59462; PubChem:CID91897399
|
Local ready
Direct docking supported
|
|
E3L003162
BDB003162
|
Methyl 4-oxo-4-(4-phenyl-1-piperazinyl)-2-butenoate
COC(=O)/C=C/C(=O)N1CCN(c2ccccc2)CC1
|
C15H18N2O3 274.320000 |
JFOLTQVFJWPMMB-BQYQJAHWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59463; PubChem:CID851903
|
Local ready
Direct docking supported
|
|
E3L003163
BDB003163
|
BDBM59464
COc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
|
C19H25N7O 367.457000 |
ACIFRNXITGOKDN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59464; PubChem:CID91897400
|
Local ready
Direct docking supported
|
|
E3L003164
BDB003164
|
BDBM59465
C=C(C)C1CC=C(C)C(=NNC(=O)CNc2ccc(C)cc2C)C1
|
C20H27N3O 325.456000 |
QVVXTDDLTKDPGI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59465
|
Local ready
Direct docking supported
|
|
E3L003165
BDB003165
|
BDBM59466
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC12CC3CC(CC(C3)C1)C2
|
C20H29N3O2S2 407.605000 |
NARXMZSEOSFNQH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59466; PubChem:CID3999638
|
Local ready
Direct docking supported
|
|
E3L003166
BDB003166
|
N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide
Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1
|
C17H13N5O5 367.321000 |
NDRVVEWGIDWCEB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59467; PubChem:CID2337502
|
Local ready
Direct docking supported
|
|
E3L003167
BDB003167
|
BDBM59468
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)ccc12
|
C28H25N3O6 499.523000 |
ZOFSNNLJQCNHOO-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59468; PubChem:CID4875603
|
Local ready
Direct docking supported
|
|
E3L003168
BDB003168
|
BDBM59469
COc1ccc(CCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
|
C21H26N2O6S 434.514000 |
ZCNGOSBFXUTNIN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59469; PubChem:CID3957954
|
Local ready
Direct docking supported
|
|
E3L003169
BDB003169
|
BDBM59470
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1cccc[n+]1[O-]
|
C21H28N4O5S2 480.612000 |
DOXFHSASVRIYBO-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59470; PubChem:CID4607409
|
Local ready
Direct docking supported
|
|
E3L003170
BDB003170
|
3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoic Acid
COc1cc(C(=O)O)cc(NC(=O)c2cccs2)c1OC
|
C14H13NO5S 307.327000 |
QUZCEXGURFAJGD-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59471; PubChem:CID2432637
|
Local ready
Direct docking supported
|
|
E3L003171
BDB003171
|
BDBM59472
Cc1cc(=O)[nH]c(N=NC(CC(C)C)CC(C)C)n1
|
C14H24N4O 264.373000 |
RHDBXYVDDATVGE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59472; PubChem:CID136664511
|
Local ready
Direct docking supported
|
|
E3L003172
BDB003172
|
BDBM59473
CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1
|
C20H22N2O3S 370.474000 |
GSMJBXFXKOMQPV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59473; PubChem:CID2309224
|
Local ready
Direct docking supported
|
|
E3L003173
BDB003173
|
BDBM59474
COc1ccc(OC)c(C=NNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1
|
C18H17N5O6 399.363000 |
DCFXOUUTEMVCFV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59474; PubChem:CID1014538
|
Local ready
Direct docking supported
|
|
E3L003174
BDB003174
|
2-Anilino-2-methyl-1-phenyl-1-propanone
CC(C)(Nc1ccccc1)C(=O)c1ccccc1
|
C16H17NO 239.318000 |
YDJBLSIFYOHFBX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59475; PubChem:CID825932
|
Local ready
Direct docking supported
|
|
E3L003175
BDB003175
|
1-benzyl-3-(3-butynylamino)-5-chloro-2(1H)-pyrazinone
C#CCCNc1nc(Cl)cn(Cc2ccccc2)c1=O
|
C15H14ClN3O 287.750000 |
FPDXZHPZMYTSLU-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59476; PubChem:CID7119659
|
Local ready
Direct docking supported
|
|
E3L003176
BDB003176
|
BDBM59477
Cc1ccccc1N1CCN(c2ccc(NC(=O)/C=C\C(=O)O)cc2)CC1
|
C21H23N3O3 365.433000 |
SBZCRTNWUMXPLR-KHPPLWFESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59477; PubChem:CID1820245
|
Local ready
Direct docking supported
|
|
E3L003177
BDB003177
|
2-Chloro-6,7-dimethoxyquinazoline
COc1cc2cnc(Cl)nc2cc1OC
|
C10H9ClN2O2 224.647000 |
KIAYGSLXVNBIFE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59478; PubChem:CID1818144
|
Local ready
Direct docking supported
|
|
E3L003178
BDB003178
|
BDBM59479
Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cn1
|
C14H12N4O3 284.275000 |
ZEGLBJSOKOCXOY-CXUHLZMHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59479; PubChem:CID7334459
|
Local ready
Direct docking supported
|
|
E3L003179
BDB003179
|
BDBM59480
O=C(c1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCN(c2cccc(Cl)c2)CC1
|
C22H26ClN3O4S 463.987000 |
UATSDZBFSFFAOD-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59480; PubChem:CID2948676
|
Local ready
Direct docking supported
|
|
E3L003180
BDB003180
|
BDBM59481
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2C)cc1C
|
C18H22N2O3S 346.452000 |
RQQHPUPRZXMGHI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59481; PubChem:CID961916
|
Local ready
Direct docking supported
|