BDBM50068973 5-Hexanoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL366506
SMILES: CCCCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
InChI Key: InChIKey=TWDXDBXTMJQLRD-UHFFFAOYSA-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)) | BDBM50068973 (5-Hexanoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant IL-1 beta converting enzyme | Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C | |||||||||||
More data for this Ligand-Target Pair |