BDBM12058 (3S)-3-{[2-(3-methylphenoxy)benzene]sulfonamido}-4-oxobutanoic acid::Diphenyl Ether Sulfonamide 4
SMILES: Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1
InChI Key: InChIKey=PXPLKNHZRKMIFR-ZDUSSCGKSA-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)) | BDBM12058 ((3S)-3-{[2-(3-methylphenoxy)benzene]sulfonamido}-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 430 | -9.03 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... | Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896 | |||||||||||
More data for this Ligand-Target Pair |