| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061881
BDB061881
|
H-Ala-Val-Pro-Phe-NH2
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C22H33N5O4 431.537000 |
QMXZNOBQSXIKAD-DKIMLUQUSA-N | P98170, Q13489, Q13490, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50588291; PubChem:CID59788048
|
Local ready
Direct docking supported
|
|
E3L061882
BDB061882
|
BDBM50588292
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C29H37FN6O8S 648.714000 |
QAVKLKFCNSQFCX-MQGJPIDWSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50588292
|
Local ready
Direct docking supported
|
|
E3L061883
BDB061883
|
BDBM50588293
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C29H37FN6O8S 648.714000 |
IQCPDUVZKKMYAI-ZMVGRULKSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB
BindingDB:BDBM50588293
|
Local ready
Direct docking supported
|
|
E3L061884
BDB061884
|
BDBM50588294
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C30H39FN6O8S 662.741000 |
JFRBABAIJRXKHS-IMNFJDCFSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50588294
|
Local ready
Direct docking supported
|
|
E3L061885
BDB061885
|
BDBM50588295
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C34H39FN6O8S 710.785000 |
JUOKIFQCAPGRNU-PFCIVCCVSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50588295
|
Local ready
Direct docking supported
|
|
E3L061886
BDB061886
|
BDBM50588296
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1
|
C28H34FN5O6S 587.674000 |
CEOLXASLSSYUAD-DPSWKAHMSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50588296; PubChem:CID168290546
|
Local ready
Direct docking supported
|
|
E3L061887
BDB061887
|
BDBM50588297
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21
|
C29H35F2N5O7S 635.690000 |
LXHMLZUEZVWXML-ZFIFVKQDSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50588297
|
Local ready
Direct docking supported
|
|
E3L061888
BDB061888
|
BDBM50588298
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21
|
C29H36FN5O7S 617.700000 |
NUAUWPVMCPSATJ-JDGBCZCZSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50588298
|
Local ready
Direct docking supported
|
|
E3L061889
BDB061889
|
BDBM50588299
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21
|
C30H38FN5O7S 631.727000 |
UUJKVNYGEWQGHG-PVUOONDNSA-N | P98170, Q13489, Q13490, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7 |
BindingDB
BindingDB:BDBM50588299
|
Local ready
Direct docking supported
|
|
E3L061890
BDB061890
|
BDBM50588300
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2ccccc21
|
C34H38FN5O7S 679.771000 |
BKYUUBOSZSVARW-CHXHCODASA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50588300
|
Local ready
Direct docking supported
|
|
E3L061891
BDB061891
|
BDBM50588301
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)O)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21
|
C29H37N5O8S 615.709000 |
LWGDXGIKDSEBGF-JDGBCZCZSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50588301
|
Local ready
Direct docking supported
|
|
E3L061892
BDB061892
|
Antitumor agent-81
COc1cc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)cc(OC)c1OC
|
C19H19N7O3 393.407000 |
SWULRQWLALOGFO-UHFFFAOYSA-N | Q13501 | Sequestosome-1 |
BindingDB, PubChem
BindingDB:BDBM50588581; PubChem:CID163214076
|
Local ready
Direct docking supported
|
|
E3L061893
BDB061893
|
BDBM50588582
COc1cc(-n2cc(-c3ccc4nc(N)nc(NCCCCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)c4c3)nn2)cc(OC)c1OC
|
C35H46N10O5S 718.885000 |
WUSWWESEOMUGJH-CRFLUJQRSA-N | Q8IYW5 | E3 ubiquitin-protein ligase RNF168 |
BindingDB
BindingDB:BDBM50588582
|
Local ready
Direct docking supported
|
|
E3L061894
BDB061894
|
BDBM50588661
CC(C)N1CCc2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2C1=O
|
C25H28FN7O 461.545000 |
UBHPJEJMHASIRC-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50588661; PubChem:CID168297332
|
Local ready
Direct docking supported
|
|
E3L061895
BDB061895
|
BDBM50588663
O=C1NCCc2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc21
|
C22H22FN7O 419.464000 |
RONAHISFEVHOEE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50588663; PubChem:CID168284243
|
Local ready
Direct docking supported
|
|
E3L061896
BDB061896
|
BDBM50588664
CCN1CCc2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2C1=O
|
C24H26FN7O 447.518000 |
CXRFVRQTMSLWOK-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50588664; PubChem:CID166176929
|
Local ready
Direct docking supported
|
|
E3L061897
BDB061897
|
BDBM50588665
CN1CCc2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2C1=O
|
C23H24FN7O 433.491000 |
RBMBLJOYIGVBNO-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50588665; PubChem:CID168270451
|
Local ready
Direct docking supported
|
|
E3L061898
BDB061898
|
BDBM50589143
CC1C(=O)NN=C(Cc2ccc(F)c(C(=O)C3CC(=O)N(C4CCC4)C(C)C3)c2)C1C
|
C24H30FN3O3 427.520000 |
BNIMPVBSDCJTNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589143; PubChem:CID168271990
|
Local ready
Direct docking supported
|
|
E3L061899
BDB061899
|
BDBM50589151
O=C(c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1)N1CCCC1
|
C19H18N4O2 334.379000 |
OSGZUJVIIAYEIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589151; PubChem:CID162534100
|
Local ready
Direct docking supported
|
|
E3L061900
BDB061900
|
BDBM50589152
O=C(/C=C/c1ccc(CCCCCCc2n[nH]c(=O)c3cc(F)ccc23)cc1)NO
|
C23H24FN3O3 409.461000 |
DEPHVBQJDPPGQN-SDNWHVSQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589152; PubChem:CID168272751
|
Local ready
Direct docking supported
|