| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006961
BDB006961
|
BDBM156097
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccc(C)s3)cc21
|
C23H32N4O2S 428.602000 |
ZRXWWGFFIBXWQB-NVXWUHKLSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156097; PubChem:CID90232090
|
Local ready
Direct docking supported
|
|
E3L006962
BDB006962
|
BDBM156098
C[C@@H]1CN(CC(=O)N2CC(C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](C(=O)N2CCOCC2)CN1
|
C28H33N5O3 487.604000 |
HCWUWDXVZPKWTB-ANTKQEHZSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156098; PubChem:CID90232340
|
Local ready
Direct docking supported
|
|
E3L006963
BDB006963
|
BDBM156099
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3cc4ccccc4o3)cc21
|
C26H32N4O3 448.567000 |
WLASEWAMCQHMCJ-IEBWSBKVSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156099; PubChem:CID90232379
|
Local ready
Direct docking supported
|
|
E3L006964
BDB006964
|
BDBM156100
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc32)[C@@H](C(=O)N(C)C)CN1
|
C25H32ClN5O3 486.016000 |
GBNRFVHPAIRAIC-OXQOHEQNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156100; PubChem:CID90232032
|
Local ready
Direct docking supported
|
|
E3L006965
BDB006965
|
BDBM156101
C[C@@H]1CN(CC(=O)N2C[C@@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](C(=O)N2CCOCC2)CN1
|
C28H33N5O3 487.604000 |
HCWUWDXVZPKWTB-VGTADKHUSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156101; PubChem:CID90232043
|
Local ready
Direct docking supported
|
|
E3L006966
BDB006966
|
BDBM156102
C[C@@H]1CN(CC(=O)N2C[C@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](C(=O)N2CCOCC2)CN1
|
C28H33N5O3 487.604000 |
HCWUWDXVZPKWTB-NMJGOYCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156102; PubChem:CID90232191
|
Local ready
Direct docking supported
|
|
E3L006967
BDB006967
|
BDBM156103
C[C@@H]1CN(CC(=O)N2C[C@@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](Cn2cccn2)CN1
|
C27H30N6O 454.578000 |
QVLZUJSECVNNFP-LXHIVTORSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156103; PubChem:CID90231989
|
Local ready
Direct docking supported
|
|
E3L006968
BDB006968
|
BDBM156104
C[C@@H]1CN(CC(=O)N2C[C@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](Cn2cccn2)CN1
|
C27H30N6O 454.578000 |
QVLZUJSECVNNFP-SZEHJLNQSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156104; PubChem:CID90232200
|
Local ready
Direct docking supported
|
|
E3L006969
BDB006969
|
BDBM156105
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(c2ccccn2)c2ccc(C#N)cc21
|
C24H29N5O2 419.529000 |
GZPIAGZKTWNMIZ-IYDNLKSRSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156105; PubChem:CID90232021
|
Local ready
Direct docking supported
|
|
E3L006970
BDB006970
|
BDBM156106
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](Cn2cc(F)cn2)CN1
|
C27H33FN6O 476.600000 |
DRVNRHJAABSXOQ-AUSIDOKSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156106; PubChem:CID90232024
|
Local ready
Direct docking supported
|
|
E3L006971
BDB006971
|
BDBM156107
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(F)(F)c4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1
|
C26H33F2N5O2 485.579000 |
IGORCEJRLCJJSW-DYESRHJHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156107; PubChem:CID90232178
|
Local ready
Direct docking supported
|
|
E3L006972
BDB006972
|
BDBM156109
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](C(=O)N2CCOCC2)CN1
|
C28H37N5O3 491.636000 |
OVTBGVLYQSDVGG-HYBUGGRVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156109; PubChem:CID90231985
|
Local ready
Direct docking supported
|
|
E3L006973
BDB006973
|
BDBM156110
Cc1cnn(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC3(Cc4ccccc4C3)c3ccc(C#N)cc32)c1
|
C29H32N6O 480.616000 |
IKYKVDPBZRTUSH-PXDATVDWSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156110; PubChem:CID90251822
|
Local ready
Direct docking supported
|
|
E3L006974
BDB006974
|
BDBM156111
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(C#N)cc32)CCN1
|
C18H24N4O 312.417000 |
YMUDNBGWCFHBEV-CYBMUJFWSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156111; PubChem:CID90232044
|
Local ready
Direct docking supported
|
|
E3L006975
BDB006975
|
BDBM156112
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(c2cccnc2)c2ccc(Cc3ccccc3)cc21
|
C30H36N4O2 484.644000 |
YVIQEITUYVGNDI-VBOLWYJRSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156112; PubChem:CID90232058
|
Local ready
Direct docking supported
|
|
E3L006976
BDB006976
|
BDBM156113
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](C(=O)N(C)C)CN1
|
C26H33F2N5O2 485.579000 |
ZFSUQNFTYNYXHG-WAIKUNEKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156113; PubChem:CID90232035
|
Local ready
Direct docking supported
|
|
E3L006977
BDB006977
|
BDBM156114
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc32)[C@@H](C(=O)N2CCOCC2)CN1
|
C27H34ClN5O4 528.053000 |
WQHBBLMMAAJKQW-XMSQKQJNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156114; PubChem:CID90232199
|
Local ready
Direct docking supported
|
|
E3L006978
BDB006978
|
BDBM156115
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2c[n+]([O-])c(Cc3ccc(F)cc3F)cc21
|
C25H32F2N4O3 474.552000 |
OLYBSEIKCAIWLM-OXQOHEQNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156115; PubChem:CID90251841
|
Local ready
Direct docking supported
|
|
E3L006979
BDB006979
|
BDBM156116
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c[n+]([O-])c(Cc4ccc(F)cc4F)cc32)[C@@H](C(=O)N(C)C)CN1
|
C26H33F2N5O3 501.578000 |
WGKDQKMBECLCQO-WAIKUNEKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156116; PubChem:CID90251848
|
Local ready
Direct docking supported
|
|
E3L006980
BDB006980
|
BDBM156117
COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(COC)c2ccc(Br)cc21
|
C20H30BrN3O3 440.382000 |
RTVXFSDTIBQMQM-AKCHCHLHSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156117; PubChem:CID90232278
|
Local ready
Direct docking supported
|