| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003141
BDB003141
|
BDBM59442
O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1
|
C23H25ClN4O4 456.930000 |
IHBNFJKYLUBWKS-FPYGCLRLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59442; PubChem:CID5960475
|
Local ready
Direct docking supported
|
|
E3L003142
BDB003142
|
BDBM59443
COc1ccc(CC(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1
|
C15H14N2O6 318.285000 |
PIAVIMLTJUQQJD-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59443; PubChem:CID7150696
|
Local ready
Direct docking supported
|
|
E3L003143
BDB003143
|
BDBM59444
COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1
|
C19H18N2O4S2 402.497000 |
MVDHNWMWXDFMQI-FOWTUZBSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59444; PubChem:CID1620327
|
Local ready
Direct docking supported
|
|
E3L003144
BDB003144
|
BDBM59445
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1
|
C17H14ClN3O4S2 423.903000 |
VCRYKKJSLYCBHY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59445; PubChem:CID4088367
|
Local ready
Direct docking supported
|
|
E3L003145
BDB003145
|
BDBM59446
COC(=O)c1ccc(C(=O)NC(=S)Nc2nc3c(s2)CCCC3)cc1
|
C17H17N3O3S2 375.475000 |
URPNFSFXAOXXPP-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59446; PubChem:CID4112660
|
Local ready
Direct docking supported
|
|
E3L003146
BDB003146
|
BDBM59447
COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
|
C23H26N4O6S 486.550000 |
BJHVELSBORAQAS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59447; PubChem:CID12006019
|
Local ready
Direct docking supported
|
|
E3L003147
BDB003147
|
BDBM59448
COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1
|
C18H16ClN3O2S 373.865000 |
QTYDPJJNZIIMOY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59448; PubChem:CID2161124
|
Local ready
Direct docking supported
|
|
E3L003148
BDB003148
|
BDBM59449
COc1ccc(Cl)cc1NC(=O)CNc1ccccc1F
|
C15H14ClFN2O2 308.740000 |
WADWCPUCCXLKOH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59449; PubChem:CID2604433
|
Local ready
Direct docking supported
|
|
E3L003149
BDB003149
|
1-(2-Methylphenoxy)-4-thiophen-2-ylphthalazine
Cc1ccccc1Oc1nnc(-c2cccs2)c2ccccc12
|
C19H14N2OS 318.401000 |
KKOGLPMOQUYTKV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59450; PubChem:CID6401106
|
Local ready
Direct docking supported
|
|
E3L003150
BDB003150
|
BDBM59451
Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1Br
|
C18H15BrN2OS 387.302000 |
FTJNHNZBUITDFW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59451; PubChem:CID2521214
|
Local ready
Direct docking supported
|
|
E3L003151
BDB003151
|
BDBM59452
CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)s1
|
C16H17N5O2S2 375.479000 |
LTTQCUUNKVCQRG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59452; PubChem:CID1855603
|
Local ready
Direct docking supported
|
|
E3L003152
BDB003152
|
BDBM59453
Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1
|
C24H19FN2O4S 450.491000 |
PHHDSKOKBTXUMA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59453; PubChem:CID15944712
|
Local ready
Direct docking supported
|
|
E3L003153
BDB003153
|
BDBM59454
COC(=O)C1=C(C(=O)OC)N2C=CC=CC2(C)C(C(=O)OC)=C1C(=O)OC
|
C18H19NO8 377.349000 |
MVLRFVJPKWICQX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59454; PubChem:CID11841593
|
Local ready
Direct docking supported
|
|
E3L003154
BDB003154
|
BDBM59455
Cc1cccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)c1
|
C17H12N2O2S 308.362000 |
STBCNNBWHZGPPB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59455; PubChem:CID7120053
|
Local ready
Direct docking supported
|
|
E3L003155
BDB003155
|
BDBM59456
Cc1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1
|
C20H16N4OS2 392.509000 |
DTWOIEBOUFDVOG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59456; PubChem:CID4256433
|
Local ready
Direct docking supported
|
|
E3L003156
BDB003156
|
BDBM59457
O=S1(=O)CC2N=C(N(Cc3c(F)cccc3Cl)c3ccccc3F)SC2C1
|
C18H15ClF2N2O2S2 428.913000 |
DEVCPJJPBHURQL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59457; PubChem:CID15944857
|
Local ready
Direct docking supported
|
|
E3L003157
BDB003157
|
BDBM59458
O=C(NCc1ccc(Cl)cc1)c1ccc2nc[nH]c2c1
|
C15H12ClN3O 285.734000 |
QAGKHMOEEYJERS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59458; PubChem:CID2095082
|
Local ready
Direct docking supported
|
|
E3L003158
BDB003158
|
BDBM59459
[C][C]OC(=O)N1[C][C]C(=N[N]C(=O)c2ccccc2F)[C][C]1
|
C15H4FN3O3 293.213000 |
PJCVXEHKFRPACL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59459
|
Local ready
Direct docking supported
|
|
E3L003159
BDB003159
|
BDBM59460
Cc1ccc(C(=O)N[N-][C+](C)Cn2nnc([N+](=O)[O-])n2)cc1
|
C12H13N7O3 303.282000 |
DVEOMWQIODHFPV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59460
|
Local ready
Direct docking supported
|
|
E3L003160
BDB003160
|
3-benzoyl-7-ethoxy-2H-chromen-2-one
CCOc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
|
C18H14O4 294.306000 |
MUDQHAUIWLIEBY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59461; PubChem:CID1583757
|
Local ready
Direct docking supported
|