| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013921
BDB013921
|
US9611224, Example 48
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc[n+]([O-])c3ccccc23)C1=O
|
C24H26N4O3 418.497000 |
OQWUOUZLOYOCME-JXFKEZNVSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314236; PubChem:CID89932588
|
Local ready
Direct docking supported
|
|
E3L013922
BDB013922
|
US9611224, Example 49a
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(-c4ccco4)cccc23)C1=O
|
C30H31N3O4 497.595000 |
YUMYLVYKUCZUEJ-DFBJGRDBSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314237; PubChem:CID72948732
|
Local ready
Direct docking supported
|
|
E3L013923
BDB013923
|
US9611224, Example 50
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C28H31N3O5 489.572000 |
PEAHZRYIIRIVGN-SBUREZEXSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314238; PubChem:CID72949463
|
Local ready
Direct docking supported
|
|
E3L013924
BDB013924
|
BDBM314239
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C27H29N3O5 475.545000 |
ABVAZCLOFHMJEP-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314239; PubChem:CID72949464
|
Local ready
Direct docking supported
|
|
E3L013925
BDB013925
|
US9611224, Example 52a
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(C(=O)NS(C)(=O)=O)ccc23)C1=O
|
C28H32N4O6S 552.653000 |
MXBOSOGRZMCIIM-SBUREZEXSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314240; PubChem:CID72949638
|
Local ready
Direct docking supported
|
|
E3L013926
BDB013926
|
US9611224, Example 53
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(C#N)cccc23)C1=O
|
C27H28N4O3 456.546000 |
WWCNAEFMHSBUOL-SBUREZEXSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314241; PubChem:CID72949646
|
Local ready
Direct docking supported
|
|
E3L013927
BDB013927
|
US9611224, Example 54a
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(C(N)=O)cccc23)C1=O
|
C27H30N4O4 474.561000 |
WJHGPVIZWNDLEO-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314242; PubChem:CID118569574
|
Local ready
Direct docking supported
|
|
E3L013928
BDB013928
|
US9611224, Example 56
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C3CC3)cnc3ccccc23)C1=O
|
C27H30N4O2 442.563000 |
VFSNQAYHZZOLHL-XDHUDOTRSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314243; PubChem:CID89922672
|
Local ready
Direct docking supported
|
|
E3L013929
BDB013929
|
US9611224, Example 57
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc23)C1=O
|
C26H24F6N4O2 538.492000 |
WWFBMCIVSOWCDI-XOBRGWDASA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314244; PubChem:CID89922780
|
Local ready
Direct docking supported
|
|
E3L013930
BDB013930
|
US9611224, Example 58
CCC(NC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C27H30BrN3O3 524.459000 |
RYPWTORYCDZTOJ-WCSIJFPASA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314245; PubChem:CID138106822
|
Local ready
Direct docking supported
|
|
E3L013931
BDB013931
|
US9611224, Example 59
CCCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C28H32BrN3O3 538.486000 |
DUBJYPFKAUCMSE-UUOWRZLLSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314246; PubChem:CID89923184
|
Local ready
Direct docking supported
|
|
E3L013932
BDB013932
|
US9611224, Example 60
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)NCC(C)C)CCc2ccccc21
|
C29H34BrN3O3 552.513000 |
AWXJTFFBPBNBDE-DFBJGRDBSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314247; PubChem:CID89923357
|
Local ready
Direct docking supported
|
|
E3L013933
BDB013933
|
US9611224, Example 62
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)NC2CNC2)CCc2ccccc21
|
C28H31BrN4O3 551.485000 |
ACBJSBRIKPDCDF-XDHUDOTRSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314249; PubChem:CID72949814
|
Local ready
Direct docking supported
|
|
E3L013934
BDB013934
|
US9611224, Example 63
CCN[C@@H](CC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C28H32BrN3O3 538.486000 |
FXASXEROYKAZHO-ZEQRLZLVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314250; PubChem:CID89923074
|
Local ready
Direct docking supported
|
|
E3L013935
BDB013935
|
US9611224, Example 64
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(F)cccc23)C1=O
|
C26H28FN3O3 449.526000 |
YJDUJLOEHCISDL-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314251; PubChem:CID72949816
|
Local ready
Direct docking supported
|
|
E3L013936
BDB013936
|
US9611224, Example 65
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(F)ccc23)C1=O
|
C26H28FN3O3 449.526000 |
HRIIVLOPGVUEGF-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314252; PubChem:CID89923185
|
Local ready
Direct docking supported
|
|
E3L013937
BDB013937
|
US9611224, Example 66
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Cl)ccc23)C1=O
|
C26H28ClN3O3 465.981000 |
ZOAGMMNCFDOPEY-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314253; PubChem:CID72949818
|
Local ready
Direct docking supported
|
|
E3L013938
BDB013938
|
US9611224, Example 67
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)NCC2CC2)CCc2ccccc21
|
C29H32BrN3O3 550.497000 |
OFBHJRQJHVENGC-BVZFJXPGSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314254; PubChem:CID72949989
|
Local ready
Direct docking supported
|
|
E3L013939
BDB013939
|
US9611224, Example 68
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(-c4nnn[nH]4)cccc23)C1=O
|
C27H29N7O3 499.575000 |
KGXDXMIDJUOTDB-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314255; PubChem:CID89923105
|
Local ready
Direct docking supported
|
|
E3L013940
BDB013940
|
US9611224, Example 69
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3c(-c4nnn[nH]4)cccc23)C1=O
|
C26H27N7O2 469.549000 |
FWAHAOZJIVRSOE-AOMKIAJQSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314256; PubChem:CID72949820
|
Local ready
Direct docking supported
|