| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011921
BDB011921
|
BDBM242865
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(Cl)cccc1Cl)C(C)C
|
C25H30Cl2N4O3 505.446000 |
ZKKNQUVNTNADDY-LVWPNOBMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242865; PubChem:CID73295057
|
Local ready
Direct docking supported
|
|
E3L011922
BDB011922
|
BDBM242866
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccc(Cl)cc2[C@@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29ClF2N4O3 506.981000 |
WGBUPYUICPSVDW-PRPYNDMISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242866; PubChem:CID90070358
|
Local ready
Direct docking supported
|
|
E3L011923
BDB011923
|
BDBM242867
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccc(Cl)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29ClF2N4O3 506.981000 |
WGBUPYUICPSVDW-FSJXIACGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242867; PubChem:CID90070353
|
Local ready
Direct docking supported
|
|
E3L011924
BDB011924
|
BDBM242868
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2cc(Cl)ccc2[C@@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29ClF2N4O3 506.981000 |
GAFFUNZAQFRLEV-PRPYNDMISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242868; PubChem:CID90070355
|
Local ready
Direct docking supported
|
|
E3L011925
BDB011925
|
BDBM242869
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29F3N4O3 490.526000 |
RRQHSAJDWNSTCR-PRPYNDMISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242869; PubChem:CID90070335
|
Local ready
Direct docking supported
|
|
E3L011926
BDB011926
|
BDBM242870
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29F3N4O3 490.526000 |
RRQHSAJDWNSTCR-FSJXIACGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242870; PubChem:CID90070337
|
Local ready
Direct docking supported
|
|
E3L011927
BDB011927
|
BDBM242871
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2cc(F)ccc2[C@@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H29F3N4O3 490.526000 |
BWSRUACPTLNELP-PRPYNDMISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242871; PubChem:CID90070354
|
Local ready
Direct docking supported
|
|
E3L011928
BDB011928
|
BDBM242872
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C
|
C25H30F2N4O3 472.536000 |
ARPGUODPOBQTIF-JHVJFLLYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242872; PubChem:CID73295229
|
Local ready
Direct docking supported
|
|
E3L011929
BDB011929
|
BDBM243076
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(C#N)ccc2N(Cc2nn(C)c3ccccc23)C1=O
|
C26H29N7O5S 551.629000 |
QSEIHNAIPUXQGH-JXFKEZNVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243076
|
Local ready
Direct docking supported
|
|
E3L011930
BDB011930
|
BDBM243077
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C33H29F2N5O4 597.622000 |
MYOBQHKFHNAVIK-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243077; PubChem:CID118076803
|
Local ready
Direct docking supported
|
|
E3L011931
BDB011931
|
BDBM243090
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(C#N)ccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C29H31N5O5S 561.664000 |
AGGFNBSBTKKUBE-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243090
|
Local ready
Direct docking supported
|
|
E3L011932
BDB011932
|
BDBM243092
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(C#N)ccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C29H31N5O6S 577.663000 |
LTHJWVFDLNDYAO-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243092
|
Local ready
Direct docking supported
|
|
E3L011933
BDB011933
|
BDBM243094
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(C#N)cc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C32H30N8O5S 638.710000 |
MLGYSEOKPCYSHL-CPJSRVTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243094
|
Local ready
Direct docking supported
|
|
E3L011934
BDB011934
|
BDBM243095
CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H33BrN4O3 601.545000 |
LOLGTAJHBKRVRL-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243095
|
Local ready
Direct docking supported
|
|
E3L011935
BDB011935
|
BDBM243096
CN[C@@H](C)C(=O)N[C@H]1CNc2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C29H26N8O2 518.581000 |
CWBVLVWXNPYBBJ-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243096
|
Local ready
Direct docking supported
|
|
E3L011936
BDB011936
|
BDBM243097
CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H32BrN5O3 626.555000 |
VJQUOVDKQYXICT-KMRXNPHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243097
|
Local ready
Direct docking supported
|
|
E3L011937
BDB011937
|
BDBM243098
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C31H28N8O3 560.618000 |
QGHSMBWRUAZMSH-DFBJGRDBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243098
|
Local ready
Direct docking supported
|
|
E3L011938
BDB011938
|
BDBM243099
CCC(NC)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C35H35BrN4O5 671.592000 |
DAVMYBGHJUAMGX-XIJSCUBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243099
|
Local ready
Direct docking supported
|
|
E3L011939
BDB011939
|
BDBM243100
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C35H34N8O4 630.709000 |
JPSHIAQRZFQBBB-DWACAAAGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243100
|
Local ready
Direct docking supported
|
|
E3L011940
BDB011940
|
BDBM243101
CCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C35H35BrN4O5 671.592000 |
CZTUMEJKHNBRMB-LGGPFLRQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243101
|
Local ready
Direct docking supported
|