BDBM50175339 (4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-(methylsulfonyl)-6-oxo-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide::CHEMBL382066
SMILES: CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
InChI Key: InChIKey=HBVXRUIPTGRFDT-PLCAQUOPSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-1 (Homo sapiens (Human)) | BDBM50175339 ((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Caspase 1 | Bioorg Med Chem Lett 15: 5434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.109 BindingDB Entry DOI: 10.7270/Q21G0KTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM50175339 ((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Caspase 8 | Bioorg Med Chem Lett 15: 5434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.109 BindingDB Entry DOI: 10.7270/Q21G0KTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50175339 ((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Caspase 3 | Bioorg Med Chem Lett 15: 5434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.109 BindingDB Entry DOI: 10.7270/Q21G0KTJ | |||||||||||
More data for this Ligand-Target Pair |