BDBM50273673 (5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)propanamido)-6-oxodeca-hydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide::CHEMBL459541
SMILES: CN[C@@H](C)C(=O)N[C@H]1CNCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
InChI Key: InChIKey=KMHMGJITTBRABL-AWDZXFJFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50273673 ((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)pr...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.20 | 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 fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay | J Med Chem 51: 8158-62 (2008) Article DOI: 10.1021/jm801254r BindingDB Entry DOI: 10.7270/Q2BR8S2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 8 (Homo sapiens (Human)) | BDBM50273673 ((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)pr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.60 | 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 fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay | J Med Chem 51: 8158-62 (2008) Article DOI: 10.1021/jm801254r BindingDB Entry DOI: 10.7270/Q2BR8S2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50273673 ((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)pr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me... | J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50273673 ((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)pr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 9.28E+3 | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi... | J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B | |||||||||||
More data for this Ligand-Target Pair |