BDBM13174 (2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 10::H-N-Me-Ala-Tle-(4S)-4-phenoxy-Pro-(R)-tetrahydronaphth-1-yl Amide
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C
InChI Key: InChIKey=QKPXPZYQPBWDHS-MCJAPYMPSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
XIAP-BIR3 (Homo sapiens (Human)) | BDBM13174![]() ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 5 | n/a | n/a | n/a | 7.4 | 22 |
Abbott Laboratories | Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari... | J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM13174![]() ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Queen's University of Belfast Curated by ChEMBL | Assay Description Binding affinity to XIAP BIR3-domain (unknown origin) | Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |