BDBM26558 3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}cyclohexane-1-thiol::thiol-aryl sulfone, 24

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1

InChI Key: InChIKey=MWJINRBCZKGRGC-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26558   

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))	BDBM26558 (3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}cyclohexa...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1 Show InChI InChI=1S/C16H20O3S2/c1-2-3-11-19-13-7-9-15(10-8-13)21(17,18)16-6-4-5-14(20)12-16/h7-10,14,16,20H,4-6,11-12H2,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-10.2	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				3D Structure (docked)