BDBM50273698 (5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methylamino)-propanamido)-6-oxodeca-hydro pyrrolo[1,2-a][1,5]diazocine-8-carbox-amide::CHEMBL456400
SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(C)=O
InChI Key: InChIKey=IYOZNYWYRADTNN-CTZQYXLCSA-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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay | 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 | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30 | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90 | 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 | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | 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 | 7.50E+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 | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | 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 | 1.40E+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-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 | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay | 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 | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay | 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)) | BDBM50273698 ((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay | 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 |