BDBM50290015 (S)-4-Oxo-3-{(S)-2-[2-oxo-3-(3-phenyl-propionylamino)-2H-pyridin-1-yl]-propionylamino}-butyric acid::CHEMBL308700
SMILES: C[C@@H](C(=O)N[C@@H](CC(O)=O)C=O)n1cccc(NC(=O)CCc2ccccc2)c1=O
InChI Key: InChIKey=CCSKOLUEVVFRNM-HOCLYGCPSA-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)) | BDBM50290015 ((S)-4-Oxo-3-{(S)-2-[2-oxo-3-(3-phenyl-propionylami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 150 | 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 |