Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4' and Ligand = 'BDBM50259008'   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50259008 ((R)-2-(4'-((3-acetylphenoxy)methyl)biphenyl-4-ylsu...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cccc(c2)C(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C26H27NO6S/c1-17(2)25(26(29)30)27-34(31,32)24-13-11-21(12-14-24)20-9-7-19(8-10-20)16-33-23-6-4-5-22(15-23)18(3)28/h4-15,17,25,27H,16H2,1-3H3,(H,29,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of aggrecanase1				Bioorg Med Chem Lett 19: 2487-91 (2009) Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB
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