| Reaction Details |
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 | Report a problem with these data |
| Target | Baculoviral IAP repeat-containing protein 3 |
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| Ligand | BDBM50078360 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1470753 (CHEMBL3420982) |
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| IC50 | 36±n/a nM |
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| Citation |  Seigal, BA; Connors, WH; Fraley, A; Borzilleri, RM; Carter, PH; Emanuel, SL; Fargnoli, J; Kim, K; Lei, M; Naglich, JG; Pokross, ME; Posy, SL; Shen, H; Surti, N; Talbott, R; Zhang, Y; Terrett, NK The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activity. J Med Chem58:2855-61 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Baculoviral IAP repeat-containing protein 3 |
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| Name: | Baculoviral IAP repeat-containing protein 3 |
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| Synonyms: | API2 | BIRC3 | BIRC3_HUMAN | Baculoviral IAP repeat-containing protein 3 | Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) | Inhibitor of apoptosis protein 3 (cIAP2) | MIHC | RNF49 | XIAP-BIR3 | cIAP1/cIAP2 |
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| Type: | Protein |
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| Mol. Mass.: | 68365.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q13489 |
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| Residue: | 604 |
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| Sequence: | MNIVENSIFLSNLMKSANTFELKYDLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGV
NDKVKCFCCGLMLDNWKRGDSPTEKHKKLYPSCRFVQSLNSVNNLEATSQPTFPSSVTNS
THSLLPGTENSGYFRGSYSNSPSNPVNSRANQDFSALMRSSYHCAMNNENARLLTFQTWP
LTFLSPTDLAKAGFYYIGPGDRVACFACGGKLSNWEPKDNAMSEHLRHFPKCPFIENQLQ
DTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLR
CWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTSDSPGDENAESS
IIHFEPGEDHSEDAIMMNTPVINAAVEMGFSRSLVKQTVQRKILATGENYRLVNDLVLDL
LNAEDEIREEERERATEEKESNDLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHD
VIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVS
DLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVR
TFLS
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| BDBM50078360 |
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| n/a |
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| Name | BDBM50078360 |
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| Synonyms: | CHEMBL3414728 |
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| Type | Small organic molecule |
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| Emp. Form. | C80H96N16O14 |
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| Mol. Mass. | 1505.717 |
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| SMILES | [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| |
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| Structure | 
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