| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011761
BDB011761
|
BDBM242603
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H31BrClN5O4 664.988000 |
AIUSSHJTBFDDBV-QYBDOPJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242603
|
Local ready
Direct docking supported
|
|
E3L011762
BDB011762
|
BDBM242604
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C36H41BrN4O4 673.652000 |
ZYJSAXCVKITGMK-USPVGKNKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242604
|
Local ready
Direct docking supported
|
|
E3L011763
BDB011763
|
BDBM242605
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C34H32BrClN4O5 692.010000 |
DUHMRKGHRWGINZ-VKGTZQKMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242605
|
Local ready
Direct docking supported
|
|
E3L011764
BDB011764
|
BDBM242606
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H32BrN5O4 630.543000 |
BSUCDFNUQCWZFS-SIBVEZHUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242606
|
Local ready
Direct docking supported
|
|
E3L011765
BDB011765
|
BDBM242607
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C32H29BrClFN4O4 667.963000 |
ASXCUXYHAICPGC-QYBDOPJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242607
|
Local ready
Direct docking supported
|
|
E3L011766
BDB011766
|
BDBM242608
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@@H]2CCN2)CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc21
|
C34H31BrN4O5 655.549000 |
FYPLXCGGIXAPHV-NSOVKSMOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242608
|
Local ready
Direct docking supported
|
|
E3L011767
BDB011767
|
BDBM242609
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C33H29BrClN5O4 674.983000 |
FXUKLVOPWTYLHG-PPHZAIPVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242609
|
Local ready
Direct docking supported
|
|
E3L011768
BDB011768
|
BDBM242610
CN[C@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C34H33BrN4O5 657.565000 |
VBKYKJZFJATBDB-NGOKVRLYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242610
|
Local ready
Direct docking supported
|
|
E3L011769
BDB011769
|
BDBM242611
CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O
|
C31H29BrN4O4 601.501000 |
YVTYAMQGTKOVBC-ZAFBDEJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242611; PubChem:CID91758773
|
Local ready
Direct docking supported
|
|
E3L011770
BDB011770
|
BDBM242612
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc21
|
C35H35BrN4O5 671.592000 |
HMSRUTJNXZGPKD-LGGPFLRQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242612; PubChem:CID118076730
|
Local ready
Direct docking supported
|
|
E3L011771
BDB011771
|
BDBM242613
CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O
|
C31H29BrN4O4 601.501000 |
DEKPQKVLGOFSJI-ZAFBDEJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242613; PubChem:CID122531397
|
Local ready
Direct docking supported
|
|
E3L011772
BDB011772
|
BDBM242614
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N)CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc21
|
C33H31BrN4O5 643.538000 |
PSNQIUPKZKGASK-PPHZAIPVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242614
|
Local ready
Direct docking supported
|
|
E3L011773
BDB011773
|
BDBM242615
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H29BrClFN4O4 667.963000 |
FDPZDJGLHIXCAI-QYBDOPJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242615
|
Local ready
Direct docking supported
|
|
E3L011774
BDB011774
|
BDBM242616
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(CCc2cccc3ccccc23)C1=O
|
C34H34N4O4 562.670000 |
NVXMSTOAPJLPRH-ZTOMLWHTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242616; PubChem:CID118086253
|
Local ready
Direct docking supported
|
|
E3L011775
BDB011775
|
BDBM242617
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H29BrClN5O4 674.983000 |
ATANOOYHOJRMCH-PPHZAIPVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242617
|
Local ready
Direct docking supported
|
|
E3L011776
BDB011776
|
BDBM242619
CCN[C@@H](CC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O
|
C33H33BrN4O4 629.555000 |
HWIHWDMCQSBKGA-PKMDPOOCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242619; PubChem:CID122531385
|
Local ready
Direct docking supported
|
|
E3L011777
BDB011777
|
BDBM242620
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C34H35N5O5 593.684000 |
ZZMWAGXEJSTILS-KMRXNPHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242620
|
Local ready
Direct docking supported
|
|
E3L011778
BDB011778
|
BDBM242621
CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O
|
C31H29BrN4O4 601.501000 |
YXJMOPISMTUTLI-ZZDYIDRTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242621; PubChem:CID118076821
|
Local ready
Direct docking supported
|
|
E3L011779
BDB011779
|
BDBM242622
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C36H36N4O7 636.705000 |
NCWHDTFFARAZAY-LGGPFLRQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242622
|
Local ready
Direct docking supported
|
|
E3L011780
BDB011780
|
BDBM242623
CCN[C@@H](CC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O
|
C33H33BrN4O4 629.555000 |
MIIIBECDVPUFSN-PKMDPOOCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242623; PubChem:CID122531487
|
Local ready
Direct docking supported
|