BDBM12051 (3S)-3-{[2-(3-methylphenyl)benzene]sulfonamido}-4-oxobutanoic acid::(S)-3-(3-Methyl-biphenyl-2-sulfonylamino)-4-oxo-butyric acid::arylsulfonamide analogue 15
SMILES: Cc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=TUCWJOZUVUUUBG-AWEZNQCLSA-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)) | BDBM12051 ((3S)-3-{[2-(3-methylphenyl)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 | 3.10E+3 | -7.81 | 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 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G | |||||||||||
More data for this Ligand-Target Pair |