BDBM50326216 (3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)-5-oxo-9-(2-phenylacetamido)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL1241426
SMILES: CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1
InChI Key: InChIKey=BOOCCBUATVVXCL-FCHANPDASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50326216 ((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz... | J Med Chem 53: 6361-7 (2010) Article DOI: 10.1021/jm100487z BindingDB Entry DOI: 10.7270/Q27H1JTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50326216 ((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz... | J Med Chem 53: 6361-7 (2010) Article DOI: 10.1021/jm100487z BindingDB Entry DOI: 10.7270/Q27H1JTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM50326216 ((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari... | J Med Chem 53: 6361-7 (2010) Article DOI: 10.1021/jm100487z BindingDB Entry DOI: 10.7270/Q27H1JTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50326216 ((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari... | J Med Chem 53: 6361-7 (2010) Article DOI: 10.1021/jm100487z BindingDB Entry DOI: 10.7270/Q27H1JTQ | |||||||||||
More data for this Ligand-Target Pair |