| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012041
BDB012041
|
BDBM249175
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(COc3ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4CCCc5ccccc54)cc3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H81N9O8 1080.385000 |
ZNXRDQOMLFCSOT-PQRBCLMOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM249175
|
Local ready
Direct docking supported
|
|
E3L012042
BDB012042
|
BDBM249176
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(C(=O)NC3C[C@@H](C(=O)NC4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc21
|
C68H85N9O7 1140.484000 |
XAZVUSKLJAYKSQ-BTBHBTNASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM249176
|
Local ready
Direct docking supported
|
|
E3L012043
BDB012043
|
BDBM249177
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(C(=O)NC3C[C@@H](C(=O)NC4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc21
|
C67H83N9O7 1126.457000 |
YQQYAIDWSCFDCF-XYYSOBHESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM249177
|
Local ready
Direct docking supported
|
|
E3L012044
BDB012044
|
BDBM249178
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(/C=C/c2ccc(C(=O)NC3CC(C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc21
|
C67H81N9O7 1124.441000 |
YDZYKOLIKMVENZ-DKKVXTMGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM249178
|
Local ready
Direct docking supported
|
|
E3L012045
BDB012045
|
BDBM249277
Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)[nH]c12
|
C25H22N4O 394.478000 |
KHQQNXFBTALTQF-UHFFFAOYSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | CREB-binding protein, Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase p300, Transcription intermediary factor 1-alpha, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM249277; PubChem:CID86301666
|
Local ready
Direct docking supported
|
|
E3L012046
BDB012046
|
XE77D7Fkw4
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cccnc3OC)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O2 581.680000 |
XPQTUUJPXMXNET-QHCPKHFHSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM253991; PubChem:CID118863018
|
Local ready
Direct docking supported
|
|
E3L012047
BDB012047
|
BDBM253992
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(C)c3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O 565.681000 |
ORQDPDLQZJORFE-DEOSSOPVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253992; PubChem:CID118862990
|
Local ready
Direct docking supported
|
|
E3L012048
BDB012048
|
BDBM253993
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cnn(C)c3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C33H30N8O 554.658000 |
GKUKREOTCLQGRX-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253993; PubChem:CID118863027
|
Local ready
Direct docking supported
|
|
E3L012049
BDB012049
|
BDBM253994
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cncn3C)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C33H30N8O 554.658000 |
MKBRPDBPQLDLIT-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253994; PubChem:CID118863034
|
Local ready
Direct docking supported
|
|
E3L012050
BDB012050
|
BDBM253995
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cccnc3C)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O 565.681000 |
PWGNJALKXKCHCQ-DEOSSOPVSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM253995; PubChem:CID118863042
|
Local ready
Direct docking supported
|
|
E3L012051
BDB012051
|
BDBM253996
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccc(C)nc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O 565.681000 |
ROMCJEPRVBSBEK-DEOSSOPVSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253996; PubChem:CID118862989
|
Local ready
Direct docking supported
|
|
E3L012052
BDB012052
|
BDBM253997
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cnc(C)nc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C34H30N8O 566.669000 |
OOOHUPBTSUEVGE-QFIPXVFZSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM253997; PubChem:CID118862998
|
Local ready
Direct docking supported
|
|
E3L012053
BDB012053
|
BDBM253998
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(OC)c3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O2 581.680000 |
DOCWUWPIDUHYPB-QHCPKHFHSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253998; PubChem:CID118863030
|
Local ready
Direct docking supported
|
|
E3L012054
BDB012054
|
BDBM253999
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccc(OC)nc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C35H31N7O2 581.680000 |
WCEKPSGXNVKDPR-QHCPKHFHSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM253999; PubChem:CID118863000
|
Local ready
Direct docking supported
|
|
E3L012055
BDB012055
|
BDBM254000
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cccnc3OC)nc3cc(C)ccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1
|
C35H31N7O3 597.679000 |
BLCOQEHXRZDQMH-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM254000; PubChem:CID118863014
|
Local ready
Direct docking supported
|
|
E3L012056
BDB012056
|
BDBM254001
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(C)c3)nc3cc(C)ccn23)c(C#Cc2ccccc2)n1
|
C31H28N6O 500.606000 |
RVXKLPGEBCDTMK-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM254001; PubChem:CID118863016
|
Local ready
Direct docking supported
|
|
E3L012057
BDB012057
|
BDBM254002
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cnc(C)nc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1
|
C34H30N8O2 582.668000 |
KNODPLACRRUGBI-NRFANRHFSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM254002; PubChem:CID118862996
|
Local ready
Direct docking supported
|
|
E3L012058
BDB012058
|
BDBM254003
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(OC)c3)nc3cc(C)ccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1
|
C35H31N7O3 597.679000 |
JQQZFPQLXLLQNN-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM254003; PubChem:CID118863002
|
Local ready
Direct docking supported
|
|
E3L012059
BDB012059
|
BDBM254004
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccc(OC)nc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1
|
C35H31N7O3 597.679000 |
MUGPHODVYMCYLU-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM254004; PubChem:CID118863011
|
Local ready
Direct docking supported
|
|
E3L012060
BDB012060
|
BDBM254005
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cccnc3OC)nc3cc(Cl)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C34H28ClN7O2 602.098000 |
KUALBBKNPXFGDB-NRFANRHFSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM254005; PubChem:CID118863012
|
Local ready
Direct docking supported
|