BDBM50290011 (S)-4-Oxo-3-{2-[2-oxo-6-phenyl-3-(3-phenyl-propionylamino)-2H-pyridin-1-yl]-acetylamino}-butyric acid::CHEMBL68669
SMILES: OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)CCc2ccccc2)c1=O)-c1ccccc1)C=O
InChI Key: InChIKey=DTFCKUHAUSPAPY-FQEVSTJZSA-N
Data: 1 KI
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)) | BDBM50290011 ((S)-4-Oxo-3-{2-[2-oxo-6-phenyl-3-(3-phenyl-propion...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of IL-1 beta converting enzyme | Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2 | |||||||||||
More data for this Ligand-Target Pair |