BDBM50068969 (S)-5-((R)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL367715
SMILES: CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
InChI Key: InChIKey=UWJGMRSBULPUDF-MDEZFMAYSA-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)) | BDBM50068969 ((S)-5-((R)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 25 | 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 |