BDBM26556 3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}propane-1-thiol::thiol-aryl sulfone, 16
SMILES: CC#CCNc1ccc(cc1)S(=O)(=O)CCCS
InChI Key: InChIKey=ROMWCNAWMYPXJK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TNF-alpha-Converting Enzyme (Homo sapiens (Human)) | BDBM26556 (3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}propane...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.5 | -11.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals | Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... | Bioorg Med Chem Lett 18: 44-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 | |||||||||||
More data for this Ligand-Target Pair |