BDBM50084658 3-(2-{3-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-6-benzyl-2-oxo-2H-pyridin-1-yl}-acetylamino)-4-oxo-butyric acid::CHEMBL114952
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O
InChI Key: InChIKey=CHNJAYWTWSGDIU-OFVILXPXSA-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)) | BDBM50084658 (3-(2-{3-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description The binding affinity against IL-1 beta converting enzyme | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |