Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]' and Ligand = 'BDBM26551'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human))	BDBM26551 (4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	-41.0	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 17: 2250-3 (2007) Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67
					More data for this Ligand-Target Pair				3D Structure (docked)