Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50213946'   

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 (Homo sapiens (Human))	BDBM50213946 (CHEMBL250094 | ethyl 3-((4-(but-2-ynyloxy)phenylsu...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H26N2O7S/c1-3-5-13-29-16-7-9-17(10-8-16)30(26,27)15-20(18(23)21-25)11-6-12-22(14-20)19(24)28-4-2/h7-10,25H,4,6,11-15H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
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