| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011701
BDB011701
|
BDBM240886
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)NC4CCCCC4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C56H70BrN9O8 1077.135000 |
DUMCUFNHQURVRM-MUUCLWMVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240886
|
Local ready
Direct docking supported
|
|
E3L011702
BDB011702
|
BDBM240887
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)NC(C)C)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C53H66BrN9O8 1037.070000 |
ZVTMZUQOSGTDGQ-OSHGBQKNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240887
|
Local ready
Direct docking supported
|
|
E3L011703
BDB011703
|
BDBM240888
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C54H56Br2N8O8 1104.898000 |
ALIUHKXJZCMAAV-YDSDICBNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240888
|
Local ready
Direct docking supported
|
|
E3L011704
BDB011704
|
BDBM240889
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C56H60Br2N8O8 1132.952000 |
XEUPNOJSSNQTHX-DYGKRUFJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240889
|
Local ready
Direct docking supported
|
|
E3L011705
BDB011705
|
BDBM240890
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4nn(-c5ccccc5C#N)c5ccccc45)c4ccccc43)cc2)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C64H56N14O6 1117.244000 |
SQXNCAKESJTANY-UCUXQBEDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240890
|
Local ready
Direct docking supported
|
|
E3L011706
BDB011706
|
BDBM240891
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccc(CC(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C60H60Br2N8O8 1180.996000 |
IHWSERQBSJKYST-MVPWKQBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240891
|
Local ready
Direct docking supported
|
|
E3L011707
BDB011707
|
BDBM240892
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)cn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C56H54Br2N10O8 1154.918000 |
GXFYCRZLAIFTMD-XAGGQHATSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240892
|
Local ready
Direct docking supported
|
|
E3L011708
BDB011708
|
BDBM240893
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(C)ccc5ccccc45)c4ccc(C#N)cc43)cc2)c2cc(C#N)ccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C60H56N10O6 1013.172000 |
ABEWHESMNXBBBX-FJWUGETPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240893
|
Local ready
Direct docking supported
|
|
E3L011709
BDB011709
|
BDBM240894
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C53H54Br2N8O8 1090.871000 |
USJKJTRCBBJPHQ-GCRRAVDUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240894
|
Local ready
Direct docking supported
|
|
E3L011710
BDB011710
|
BDBM240895
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C57H62Br2N8O8 1146.979000 |
UOOVZPYCEUOIRH-JXJQUFNJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240895
|
Local ready
Direct docking supported
|
|
E3L011711
BDB011711
|
BDBM240896
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)n2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C57H55Br2N9O8 1153.930000 |
BYEWOHNSGVZTKI-GQZZGPPCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240896
|
Local ready
Direct docking supported
|
|
E3L011712
BDB011712
|
BDBM240897
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C58H64Br2N8O8 1161.006000 |
BHKFQSLHSMCXAC-AQALWICOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240897
|
Local ready
Direct docking supported
|
|
E3L011713
BDB011713
|
BDBM240898
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3ccc(C(=O)N4C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc5c(OC)ccc6cc(Br)ccc56)c5ccccc54)cc3c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C62H58Br2N8O8 1203.002000 |
DVCZULJQUBIBRA-HLGNEWOLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240898
|
Local ready
Direct docking supported
|
|
E3L011714
BDB011714
|
BDBM240899
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(Oc3ccc(C(=O)N4C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc5c(OC)ccc6cc(Br)ccc56)c5ccccc54)cc3)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C64H60Br2N8O9 1245.039000 |
XGUNLKVECPOSEU-YSFKWEKFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240899
|
Local ready
Direct docking supported
|
|
E3L011715
BDB011715
|
BDBM240900
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5ccccc45)c4ccccc43)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C58H58N8O8 995.150000 |
JHXQJXZMVVMYBN-AQALWICOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240900
|
Local ready
Direct docking supported
|
|
E3L011716
BDB011716
|
BDBM240901
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)c(C)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C59H58Br2N8O8 1166.969000 |
PJTRCKWNFSSWCE-CLBURSBNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240901
|
Local ready
Direct docking supported
|
|
E3L011717
BDB011717
|
BDBM240902
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(C)c(C(=O)N3C[C@H](NC(=O)[C@H](C)N)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)cc2C)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C59H58Br2N8O8 1166.969000 |
WHHWXTAPRGBQGN-CLBURSBNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240902
|
Local ready
Direct docking supported
|
|
E3L011718
BDB011718
|
BDBM240903
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C58H56Br2N8O8 1152.942000 |
PQGPVQQEGIDVFM-MLLHAFNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240903
|
Local ready
Direct docking supported
|
|
E3L011719
BDB011719
|
BDBM240904
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cncc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C57H55Br2N9O8 1153.930000 |
QFQACUKMMOURCC-GQZZGPPCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240904
|
Local ready
Direct docking supported
|
|
E3L011720
BDB011720
|
BDBM240905
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccc(C#N)cc43)cc2)c2cc(C#N)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C60H54Br2N10O8 1202.962000 |
HTOSWKJYDYFOEH-KUFAWANDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240905
|
Local ready
Direct docking supported
|